2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid

C14H13ClN2O3S — CID 71916844

IUPAC2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
SMILESCCc1nc(CC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cs1
InChIInChI=1S/C14H13ClN2O3S/c1-2-13-17-9(7-21-13)6-12(18)16-8-3-4-10(14(19)20)11(15)5-8/h3-5,7H,2,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyFEPAKFXNUSXRHK-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid

2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid (PubChem CID 71916844) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
PubChem CID71916844
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
SMILESCCc1nc(CC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cs1
InChIInChI=1S/C14H13ClN2O3S/c1-2-13-17-9(7-21-13)6-12(18)16-8-3-4-10(14(19)20)11(15)5-8/h3-5,7H,2,6H2,1H3,(H,16,18)(H,19,20)
InChIKeyFEPAKFXNUSXRHK-UHFFFAOYSA-N
XLogP3.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-chlorobenzoic acid
CID 62800000
2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 131937813
N-(3-chloro-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386789
2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 39170378
2-(2-ethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 130662599
4-(3-aminobutanoylamino)-2-chlorobenzoic acid
CID 61399027
2-chloro-4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]benzoic acid
CID 107642603
N-(3-chloro-4-methylphenyl)-2-[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]acetamide
CID 24855351
2-chloro-N,N-diethyl-4-[[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 55673130
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 55649827
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(2-ethyl-1,3-thiazol-4-yl)acetamide
CID 120566989
2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 60547951

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid (CID 71916844) is 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid is CCc1nc(CC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cs1.
What is the InChIKey of 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid?
The InChIKey is FEPAKFXNUSXRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-2-13-17-9(7-21-13)6-12(18)16-8-3-4-10(14(19)20)11(15)5-8/h3-5,7H,2,6H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid?
2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid has a molecular weight of 324.79 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 71916844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).