2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid

C10H7ClN2O2S — CID 2757762

IUPAC2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H7ClN2O2S/c11-6-1-3-7(4-2-6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyCKPFGKWKFOXQJJ-UHFFFAOYSA-N
MW254.70 g/mol
LogP3.24
Rot. Bonds3

About 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid

2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 2757762) has the molecular formula C10H7ClN2O2S and a molecular weight of 254.70 g/mol. Its IUPAC name is 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID2757762
Molecular FormulaC10H7ClN2O2S
Molecular Weight254.70 g/mol
Exact Mass253.99
IUPAC Name2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H7ClN2O2S/c11-6-1-3-7(4-2-6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15)
InChIKeyCKPFGKWKFOXQJJ-UHFFFAOYSA-N
XLogP3.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-((4-chlorophenyl)amino)thiazole-4-carboxylate
CID 53428670
1-[2-(2-Chloroanilino)thiazole-4-yl]ethanone
CID 2744808
[2-(3-Chloro-phenylamino)-thiazol-4-yl]-acetic acid
CID 1078637
Ethyl 2-(phenylamino)-4-thiazolecarboxylate
CID 15053537
2-Anilino-1,3-thiazole-4-carboxylic acid
CID 2760358
2-(3,4-Dichloroanilino)thiazole-4-carboxylic acid ethyl ester
CID 2744009
Ethyl 2-(3-(3-chlorophenyl)ureido)thiazole-4-carboxylate
CID 4615881
Ethyl 4-((3-chlorophenyl)amino)-3,5-thiazolecarboxylate
CID 72205765
2-(2,4-Dichloroanilino)thiazole-4-carboxylic acid ethyl ester
CID 75176663
2-[(3-Chlorophenyl)amino]-1,3-thiazole-4-carboxylic acid
CID 42876704
2-[(Anilinocarbonyl)amino]-1,3-thiazole-4-carboxylic acid
CID 42281661
2-(4-Bromoanilino)-1,3-thiazole-4-carboxylic acid
CID 2757096

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid (CID 2757762) is 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CKPFGKWKFOXQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2S/c11-6-1-3-7(4-2-6)12-10-13-8(5-16-10)9(14)15/h1-5H,(H,12,13)(H,14,15).
What are the key properties of 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid?
2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 254.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 2757762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).