2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid

C12H9ClN2O3S — CID 677042

IUPAC2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H9ClN2O3S/c13-8-3-1-7(2-4-8)11(18)15-12-14-9(6-19-12)5-10(16)17/h1-4,6H,5H2,(H,16,17)(H,14,15,18)
InChIKeyDDKSZHVERDDFMO-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.68
Rot. Bonds4

About 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid

2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 677042) has the molecular formula C12H9ClN2O3S and a molecular weight of 296.74 g/mol. Its IUPAC name is 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID677042
Molecular FormulaC12H9ClN2O3S
Molecular Weight296.74 g/mol
Exact Mass296.00
IUPAC Name2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H9ClN2O3S/c13-8-3-1-7(2-4-8)11(18)15-12-14-9(6-19-12)5-10(16)17/h1-4,6H,5H2,(H,16,17)(H,14,15,18)
InChIKeyDDKSZHVERDDFMO-UHFFFAOYSA-N
XLogP2.68
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Dichloro-N-(4-phenyl-thiazol-2-yl)-benzamide
CID 599553
3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 697363
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
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 733870
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
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 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 677042) is 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DDKSZHVERDDFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3S/c13-8-3-1-7(2-4-8)11(18)15-12-14-9(6-19-12)5-10(16)17/h1-4,6H,5H2,(H,16,17)(H,14,15,18).
What are the key properties of 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 296.74 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 677042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).