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

C10H6ClFN2O2S — CID 80571660

IUPAC2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cccc(Cl)c2F)s1
InChIInChI=1S/C10H6ClFN2O2S/c11-5-2-1-3-6(8(5)12)14-10-13-4-7(17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyLEHMDMWKGITJCA-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.38
Rot. Bonds3

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

2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80571660) has the molecular formula C10H6ClFN2O2S and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID80571660
Molecular FormulaC10H6ClFN2O2S
Molecular Weight272.69 g/mol
Exact Mass271.98
IUPAC Name2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2cccc(Cl)c2F)s1
InChIInChI=1S/C10H6ClFN2O2S/c11-5-2-1-3-6(8(5)12)14-10-13-4-7(17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
InChIKeyLEHMDMWKGITJCA-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

2-(2,6-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571332
2-(2-chloro-5-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107531721
2-(3,5-dichloro-4-fluoroanilino)-1,3-thiazole-5-carboxylic acid
CID 107580551
2-[2-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80570658
2-(2-aminoanilino)-1,3-thiazole-5-carboxylic acid
CID 87396018
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
2-(2,5-dichloro-4-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 104728582
2-(3,5-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80571776
4-(3-chloro-2-fluoroanilino)pyridine-2-carboxylic acid
CID 43326161
2-[(3,5-dichloro-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571642
2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 80572716
2-(2,6-dichlorophenyl)-1,3-thiazole-5-carboxylic acid
CID 43156441

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid (CID 80571660) is 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Nc2cccc(Cl)c2F)s1.
What is the InChIKey of 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LEHMDMWKGITJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O2S/c11-5-2-1-3-6(8(5)12)14-10-13-4-7(17-10)9(15)16/h1-4H,(H,13,14)(H,15,16).
What are the key properties of 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid?
2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-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 2-(3-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).