N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide

C21H17N3OS — CID 56930773

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3c[nH]cc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N3OS/c1-14-7-9-16(10-8-14)19-13-26-21(23-19)24-20(25)18-12-22-11-17(18)15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24,25)
InChIKeyNSKPUESMQMDVEC-UHFFFAOYSA-N
MW359.45 g/mol
LogP5.37
Rot. Bonds4

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 56930773) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
PubChem CID56930773
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)c3c[nH]cc3-c3ccccc3)n2)cc1
InChIInChI=1S/C21H17N3OS/c1-14-7-9-16(10-8-14)19-13-26-21(23-19)24-20(25)18-12-22-11-17(18)15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24,25)
InChIKeyNSKPUESMQMDVEC-UHFFFAOYSA-N
XLogP5.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.45
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
2-methylsulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41154127
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 868787
3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 23854360
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 40672202
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
1-methyl-3-N,5-N-bis(4-phenyl-1,3-thiazol-2-yl)pyrazole-3,5-dicarboxamide
CID 44824119

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide (CID 56930773) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide is Cc1ccc(-c2csc(NC(=O)c3c[nH]cc3-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is NSKPUESMQMDVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14-7-9-16(10-8-14)19-13-26-21(23-19)24-20(25)18-12-22-11-17(18)15-5-3-2-4-6-15/h2-13,22H,1H3,(H,23,24,25).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 56930773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).