5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid

C10H6F2N2O2S — CID 64631095

IUPAC5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H6F2N2O2S/c11-6-2-1-5(3-7(6)12)14-9-8(10(15)16)13-4-17-9/h1-4,14H,(H,15,16)
InChIKeyMXMZMEDVMSTGRZ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.86
Rot. Bonds3

About 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid

5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64631095) has the molecular formula C10H6F2N2O2S and a molecular weight of 256.23 g/mol. Its IUPAC name is 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64631095
Molecular FormulaC10H6F2N2O2S
Molecular Weight256.23 g/mol
Exact Mass256.01
IUPAC Name5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1Nc1ccc(F)c(F)c1
InChIInChI=1S/C10H6F2N2O2S/c11-6-2-1-5(3-7(6)12)14-9-8(10(15)16)13-4-17-9/h1-4,14H,(H,15,16)
InChIKeyMXMZMEDVMSTGRZ-UHFFFAOYSA-N
XLogP2.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoro-4-methoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629868
5-(5-chloro-2-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 64629867
5-(2,3-dihydro-1H-inden-5-ylamino)-1,3-thiazole-4-carboxylic acid
CID 64630485
5-[(1,3-dioxoisoindol-5-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 64629679
5-(4-methoxy-3-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64630915
5-(3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 64629274
5-(2,6-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 83081916
5-(3-butan-2-yloxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64629880
N-(3,4-difluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035313
5-(2-chloro-5-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 107639805
4-(3,4-difluoroanilino)-2-methylbenzoic acid
CID 113399992
5-[2-(difluoromethylsulfanyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 64631698

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid (CID 64631095) is 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1Nc1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is MXMZMEDVMSTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2S/c11-6-2-1-5(3-7(6)12)14-9-8(10(15)16)13-4-17-9/h1-4,14H,(H,15,16).
What are the key properties of 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid?
5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64631095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).