4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide

C11H9FN2OS — CID 116967907

IUPAC4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1cc(-c2csc(C(N)=O)n2)ccc1F
InChIInChI=1S/C11H9FN2OS/c1-6-4-7(2-3-8(6)12)9-5-16-11(14-9)10(13)15/h2-5H,1H3,(H2,13,15)
InChIKeyNGRQNLGNRDKKNN-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.36
Rot. Bonds2

About 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide

4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 116967907) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
PubChem CID116967907
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide
SMILESCc1cc(-c2csc(C(N)=O)n2)ccc1F
InChIInChI=1S/C11H9FN2OS/c1-6-4-7(2-3-8(6)12)9-5-16-11(14-9)10(13)15/h2-5H,1H3,(H2,13,15)
InChIKeyNGRQNLGNRDKKNN-UHFFFAOYSA-N
XLogP2.36
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-1,3-thiazole-2-carboxamide
CID 19375996
4-(4-chlorophenyl)-1,3-thiazole-2-carboxamide
CID 10130961
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564276
4-[4-(trifluoromethyl)phenyl]-1,3-thiazole-2-carboxamide
CID 19375948
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
1-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]-2-methylpropan-2-ol
CID 116867993
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
5-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-hydroxybenzoic acid
CID 695909
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203
2-chloro-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 83969157
2-[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]ethanethiol
CID 116965969

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide (CID 116967907) is 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide is Cc1cc(-c2csc(C(N)=O)n2)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is NGRQNLGNRDKKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-6-4-7(2-3-8(6)12)9-5-16-11(14-9)10(13)15/h2-5H,1H3,(H2,13,15).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide?
4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 116967907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).