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

C13H11ClN2O3S — CID 106860455

IUPAC2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)c(Cl)c1
InChIInChI=1S/C13H11ClN2O3S/c1-7-2-3-9(10(14)4-7)12(19)16-13-15-8(6-20-13)5-11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyPEZFHIQSDMYOEY-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.98
Rot. Bonds4

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

2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 106860455) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID106860455
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)c(Cl)c1
InChIInChI=1S/C13H11ClN2O3S/c1-7-2-3-9(10(14)4-7)12(19)16-13-15-8(6-20-13)5-11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,15,16,19)
InChIKeyPEZFHIQSDMYOEY-UHFFFAOYSA-N
XLogP2.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 63194252
2-[2-[(2-bromo-4-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 107986384
2-[2-[(2-chlorofuran-3-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106683297
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
2-[2-[(3-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80644266
2-chloro-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazol-2-yl]-4-methylbenzamide
CID 106861358
2-[2-[(4-bromo-3-chlorobenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 81290528
2,4-dichloro-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]benzamide
CID 108726565
2-bromo-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-5-methylbenzamide
CID 81112546
methyl 2-[2-[(2-chloro-5-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 106502724
2-[2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 28777667
2-[2-[(5-bromopyridine-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 62960563

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid (CID 106860455) is 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is Cc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)c(Cl)c1.
What is the InChIKey of 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PEZFHIQSDMYOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-7-2-3-9(10(14)4-7)12(19)16-13-15-8(6-20-13)5-11(17)18/h2-4,6H,5H2,1H3,(H,17,18)(H,15,16,19).
What are the key properties of 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid?
2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 310.76 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 106860455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).