Ethyl 2-(2-aminothiazol-4-yl)-2-oxoacetate

Name: Ethyl 2-(2-aminothiazol-4-yl)-2-oxoacetate
SKU: PI64987082
Rating: 5 (1 reviews)

Catalog NumberPI64987082

CAS Number64987-08-2

CategoryAntibacterials Intermediates

Ethyl 2-(2-aminothiazol-4-yl)-2-oxoacetate

Product Details

Purity	97%
Molecular Formula	C7H8N2O3S
Molecular Weight	200.22
Molar Refractivity	46.29

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Other Identifiers

Pubchem ID	4356513
InChI Key	XNVRKLCQBZTGNA-UHFFFAOYSA-N
MDL Number	MFCD00010414

Computed Properties

Aromatic Heavy Atoms Number	5
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	0.76
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.29
Ghose	None
GI Absorption	High
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.05 cm/s
Log Po/w (iLOGP)	1.37
Log Po/w (MLOGP)	-0.94
Log Po/w (SILICOS-IT)	2.39
Log Po/w (WLOGP)	0.3
Log Po/w (XLOGP3)	0.66
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.6
Topological Polar Surface Area	111.25 Å²
Veber	0.0

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