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

C14H13ClN2O3S — CID 703563

IUPACethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H13ClN2O3S/c1-2-20-12(18)7-11-8-21-14(16-11)17-13(19)9-4-3-5-10(15)6-9/h3-6,8H,2,7H2,1H3,(H,16,17,19)
InChIKeySQNYNBRUIHOWFV-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.15
Rot. Bonds5

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

ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 703563) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID703563
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Nameethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C14H13ClN2O3S/c1-2-20-12(18)7-11-8-21-14(16-11)17-13(19)9-4-3-5-10(15)6-9/h3-6,8H,2,7H2,1H3,(H,16,17,19)
InChIKeySQNYNBRUIHOWFV-UHFFFAOYSA-N
XLogP3.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 697415
3-Chloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 754492
N-(4-methylthiazol-2-yl)benzamide
CID 695178
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 899301
[2-(4-Fluoro-benzoylamino)-thiazol-4-yl]-acetic acid ethyl ester
CID 732361
Ethyl (2-{[(3-nitrophenyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 814169
Ethyl 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 741416
2-chloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 853310
{2-[(E)-3-(2-Chloro-phenyl)-acryloylamino]-thiazol-4-yl}-acetic acid ethyl ester
CID 1082195
Ethyl 2-[2-(3-oxo-1,2-benzothiazol-2-yl)-1,3-thiazol-4-yl]acetate
CID 2328662
2-chloro-N-[3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 2523205
4-chloro-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 4827689

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 703563) is ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is SQNYNBRUIHOWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-2-20-12(18)7-11-8-21-14(16-11)17-13(19)9-4-3-5-10(15)6-9/h3-6,8H,2,7H2,1H3,(H,16,17,19).
What are the key properties of ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 324.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 703563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).