N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide

C11H9FN2OS — CID 150699383

IUPACN-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cncs1
InChIInChI=1S/C11H9FN2OS/c1-7-4-8(12)2-3-9(7)14-11(15)10-5-13-6-16-10/h2-6H,1H3,(H,14,15)
InChIKeyJLNUXPOHLHMEND-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.84
Rot. Bonds2

About N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide

N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 150699383) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID150699383
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC NameN-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cncs1
InChIInChI=1S/C11H9FN2OS/c1-7-4-8(12)2-3-9(7)14-11(15)10-5-13-6-16-10/h2-6H,1H3,(H,14,15)
InChIKeyJLNUXPOHLHMEND-UHFFFAOYSA-N
XLogP2.84
TPSA41.99 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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(1,3-thiazole-5-carbonylamino)benzoic acid
CID 114030924
N-(4-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 5299224
N-(4-fluoro-2-methylphenyl)-5-methylthiophene-2-carboxamide
CID 2550682
5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 18089885
5-acetamido-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 24608441
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642384
N-(4-fluoro-2-methylphenyl)-4,5-dimethylthiophene-3-carboxamide
CID 17069419
3-amino-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 61091716
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110860261

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide (CID 150699383) is N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide is Cc1cc(F)ccc1NC(=O)c1cncs1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JLNUXPOHLHMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c1-7-4-8(12)2-3-9(7)14-11(15)10-5-13-6-16-10/h2-6H,1H3,(H,14,15).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide?
N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 150699383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).