2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid

C12H11FN2O2S — CID 62765130

IUPAC2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)c2cccc(F)c2)sc1C(=O)O
InChIInChI=1S/C12H11FN2O2S/c1-7-10(11(16)17)18-12(14-7)15(2)9-5-3-4-8(13)6-9/h3-6H,1-2H3,(H,16,17)
InChIKeyYENMSLWFASQGDQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.06
Rot. Bonds3

About 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765130) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765130
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N(C)c2cccc(F)c2)sc1C(=O)O
InChIInChI=1S/C12H11FN2O2S/c1-7-10(11(16)17)18-12(14-7)15(2)9-5-3-4-8(13)6-9/h3-6H,1-2H3,(H,16,17)
InChIKeyYENMSLWFASQGDQ-UHFFFAOYSA-N
XLogP3.06
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-ethyl-3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765126
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
2-(N,3-dimethylanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62765123
2-(3-fluorophenoxy)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 53215227
N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62753085
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 62764612
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
2-(4-fluoro-N-methylanilino)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 79393052

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62765130) is 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N(C)c2cccc(F)c2)sc1C(=O)O.
What is the InChIKey of 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is YENMSLWFASQGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-7-10(11(16)17)18-12(14-7)15(2)9-5-3-4-8(13)6-9/h3-6H,1-2H3,(H,16,17).
What are the key properties of 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).