2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

C24H23N3OS — CID 134081995

IUPAC2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1ccc(CCn2c(-c3csc(-c4ccccc4)n3)cc(C(N)=O)c2C)cc1
InChIInChI=1S/C24H23N3OS/c1-16-8-10-18(11-9-16)12-13-27-17(2)20(23(25)28)14-22(27)21-15-29-24(26-21)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H2,25,28)
InChIKeySNHKDRFRXNCSPL-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.24
Rot. Bonds6

About 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide

2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (PubChem CID 134081995) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
PubChem CID134081995
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
SMILESCc1ccc(CCn2c(-c3csc(-c4ccccc4)n3)cc(C(N)=O)c2C)cc1
InChIInChI=1S/C24H23N3OS/c1-16-8-10-18(11-9-16)12-13-27-17(2)20(23(25)28)14-22(27)21-15-29-24(26-21)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H2,25,28)
InChIKeySNHKDRFRXNCSPL-UHFFFAOYSA-N
XLogP5.24
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3860213
5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 134082228
1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3844613
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-[2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 3861207
1-[4-[2-methyl-1-(2-phenylethyl)-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carbonyl]piperazin-1-yl]ethanone
CID 134082469
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide
CID 134082087
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3860026
5-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 134082061
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid
CID 3565861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide (CID 134081995) is 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is Cc1ccc(CCn2c(-c3csc(-c4ccccc4)n3)cc(C(N)=O)c2C)cc1.
What is the InChIKey of 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
The InChIKey is SNHKDRFRXNCSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-16-8-10-18(11-9-16)12-13-27-17(2)20(23(25)28)14-22(27)21-15-29-24(26-21)19-6-4-3-5-7-19/h3-11,14-15H,12-13H2,1-2H3,(H2,25,28).
What are the key properties of 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide?
2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 134081995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).