ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate

C14H13FN2O3S — CID 732361

IUPACethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O3S/c1-2-20-12(18)7-11-8-21-14(16-11)17-13(19)9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17,19)
InChIKeyZBUOVAQYTXOIPF-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.64
Rot. Bonds5

About ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 732361) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID732361
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Nameethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H13FN2O3S/c1-2-20-12(18)7-11-8-21-14(16-11)17-13(19)9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17,19)
InChIKeyZBUOVAQYTXOIPF-UHFFFAOYSA-N
XLogP2.64
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-Phenyl-thiazol-2-yl)-benzamide
CID 746475
N-(4-methylthiazol-2-yl)benzamide
CID 695178
T0400-1499
CID 1549394
Ethyl (2-{[(3-nitrophenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 814169
4-Thiazoleacetic acid, 2-[[[(4-fluorophenyl)amino]carbonyl]amino]-, ethyl ester
CID 2813998
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 809483
3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide
CID 46911384
Ethyl 2-[2-({[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]carbamoyl}amino)-1,3-thiazol-4-YL]acetate
CID 20924581
Ethyl 2-{2-[(4-toluidinocarbonyl)amino]-1,3-thiazol-4-yl}acetate
CID 736634
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 2251173
Ethyl 2-[2-(3-oxo-1,2-benzothiazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 2328662
4-methylsulfonyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2549893

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 732361) is ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ZBUOVAQYTXOIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-2-20-12(18)7-11-8-21-14(16-11)17-13(19)9-3-5-10(15)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17,19).
What are the key properties of ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 308.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-fluorobenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 732361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).