2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide

C21H25N3OS — CID 134082087

IUPAC2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide
SMILESCCC(CC)n1c(-c2csc(-c3ccc(C)cc3)n2)cc(C(N)=O)c1C
InChIInChI=1S/C21H25N3OS/c1-5-16(6-2)24-14(4)17(20(22)25)11-19(24)18-12-26-21(23-18)15-9-7-13(3)8-10-15/h7-12,16H,5-6H2,1-4H3,(H2,22,25)
InChIKeyXFWLDRGKXXBWFG-UHFFFAOYSA-N
MW367.52 g/mol
LogP5.36
Rot. Bonds6

About 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide

2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide (PubChem CID 134082087) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide
PubChem CID134082087
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide
SMILESCCC(CC)n1c(-c2csc(-c3ccc(C)cc3)n2)cc(C(N)=O)c1C
InChIInChI=1S/C21H25N3OS/c1-5-16(6-2)24-14(4)17(20(22)25)11-19(24)18-12-26-21(23-18)15-9-7-13(3)8-10-15/h7-12,16H,5-6H2,1-4H3,(H2,22,25)
InChIKeyXFWLDRGKXXBWFG-UHFFFAOYSA-N
XLogP5.36
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[2-(4-methylphenyl)ethyl]-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081995
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3860026
1-benzyl-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 4598977
1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3844613
5-(4-cyanophenyl)-2-methyl-1-pentan-3-ylpyrrole-3-carboxamide
CID 3811281
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
N-heptan-3-yl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-propan-2-ylpyrrole-3-carboxamide
CID 58740332
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrol-1-yl]hexanoate
CID 3844614
1-[(3,5-dimethoxyphenyl)methyl]-5-[2-(6-methoxy-3-pyridinyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide
CID 134082093
N-butan-2-yl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxamide
CID 3528962

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide (CID 134082087) is 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide is CCC(CC)n1c(-c2csc(-c3ccc(C)cc3)n2)cc(C(N)=O)c1C.
What is the InChIKey of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide?
The InChIKey is XFWLDRGKXXBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-5-16(6-2)24-14(4)17(20(22)25)11-19(24)18-12-26-21(23-18)15-9-7-13(3)8-10-15/h7-12,16H,5-6H2,1-4H3,(H2,22,25).
What are the key properties of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide?
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 5.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-pentan-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 134082087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).