N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

C17H16FN3OS — CID 86983285

IUPACN-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(C)n(-c2nccs2)c1C
InChIInChI=1S/C17H16FN3OS/c1-10-8-13(18)4-5-15(10)20-16(22)14-9-11(2)21(12(14)3)17-19-6-7-23-17/h4-9H,1-3H3,(H,20,22)
InChIKeyVQSUVNWBYWYZPS-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.25
Rot. Bonds3

About N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide

N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (PubChem CID 86983285) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
PubChem CID86983285
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC NameN-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1cc(C)n(-c2nccs2)c1C
InChIInChI=1S/C17H16FN3OS/c1-10-8-13(18)4-5-15(10)20-16(22)14-9-11(2)21(12(14)3)17-19-6-7-23-17/h4-9H,1-3H3,(H,20,22)
InChIKeyVQSUVNWBYWYZPS-UHFFFAOYSA-N
XLogP4.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-benzamido-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78903158
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886368
N-[2-(ethylaminomethyl)phenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 119440196
N-ethyl-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78886012
2,5-dimethyl-N-(4-propan-2-yloxyphenyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78903126
2,5-dimethyl-N-methylsulfonyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 146154693
2,5-dimethyl-1-(1,3-thiazol-2-yl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrrole-3-carboxamide
CID 112841068
2,5-dimethyl-N-[(4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86983280
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 43072250
2,5-dimethyl-N-(1-methylcyclobutyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 136517728
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 119523935
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78900621

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide (CID 86983285) is N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is Cc1cc(F)ccc1NC(=O)c1cc(C)n(-c2nccs2)c1C.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
The InChIKey is VQSUVNWBYWYZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-10-8-13(18)4-5-15(10)20-16(22)14-9-11(2)21(12(14)3)17-19-6-7-23-17/h4-9H,1-3H3,(H,20,22).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide?
N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 86983285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).