5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid

C10H6ClFN2O2S — CID 64629867

IUPAC5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H6ClFN2O2S/c11-5-1-2-6(12)7(3-5)14-9-8(10(15)16)13-4-17-9/h1-4,14H,(H,15,16)
InChIKeyAQOHQSMQZAQPEU-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.38
Rot. Bonds3

About 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid

5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64629867) has the molecular formula C10H6ClFN2O2S and a molecular weight of 272.69 g/mol. Its IUPAC name is 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64629867
Molecular FormulaC10H6ClFN2O2S
Molecular Weight272.69 g/mol
Exact Mass271.98
IUPAC Name5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C10H6ClFN2O2S/c11-5-1-2-6(12)7(3-5)14-9-8(10(15)16)13-4-17-9/h1-4,14H,(H,15,16)
InChIKeyAQOHQSMQZAQPEU-UHFFFAOYSA-N
XLogP3.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64631095
5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 83081916
5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107639805
5-(4-fluoro-2-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629676
5-(2-chloro-4-cyanoanilino)-1,3-thiazole-4-carboxylic acid
CID 114003637
5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
4-(5-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43438570
5-[2-(difluoromethylsulfanyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 64631698
1-[5-(5-chloro-2-fluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375825
5-[[3-fluoro-4-(methylamino)phenyl]sulfinylamino]-1,3-thiazole-4-carboxylic acid
CID 137436838
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
5-(2,5-diethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64631499

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid (CID 64629867) is 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1Nc1cc(Cl)ccc1F.
What is the InChIKey of 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is AQOHQSMQZAQPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2S/c11-5-1-2-6(12)7(3-5)14-9-8(10(15)16)13-4-17-9/h1-4,14H,(H,15,16).
What are the key properties of 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid?
5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 272.69 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64629867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).