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

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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).