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

C23H26N4O2S — CID 3860026

IUPAC2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
SMILESCc1ccc(-c2nc(-c3cc(C(N)=O)c(C)n3CCCN3CCCC3=O)cs2)cc1
InChIInChI=1S/C23H26N4O2S/c1-15-6-8-17(9-7-15)23-25-19(14-30-23)20-13-18(22(24)29)16(2)27(20)12-4-11-26-10-3-5-21(26)28/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,24,29)
InChIKeyWZLIDMJVSUNNMS-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.01
Rot. Bonds7

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

2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide (PubChem CID 3860026) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
PubChem CID3860026
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
SMILESCc1ccc(-c2nc(-c3cc(C(N)=O)c(C)n3CCCN3CCCC3=O)cs2)cc1
InChIInChI=1S/C23H26N4O2S/c1-15-6-8-17(9-7-15)23-25-19(14-30-23)20-13-18(22(24)29)16(2)27(20)12-4-11-26-10-3-5-21(26)28/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,24,29)
InChIKeyWZLIDMJVSUNNMS-UHFFFAOYSA-N
XLogP4.01
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-pentan-3-ylpyrrole-3-carboxamide
CID 134082087
1-(cyclohexylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081994
methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrol-1-yl]hexanoate
CID 3844614
2,5-dimethyl-4-(4-methylphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide
CID 3436273
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 134081993
methyl 2-acetamido-6-[3-carbamoyl-2-methyl-5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate
CID 3855758
1-(furan-2-ylmethyl)-2-methyl-5-(2-phenyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3844613
2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3847884
1-benzyl-2-methyl-5-[2-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 4598977
1-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxylic acid
CID 3871027
5-(2-anilino-1,3-thiazol-4-yl)-2-methyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 134082228

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide (CID 3860026) is 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide is Cc1ccc(-c2nc(-c3cc(C(N)=O)c(C)n3CCCN3CCCC3=O)cs2)cc1.
What is the InChIKey of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
The InChIKey is WZLIDMJVSUNNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-6-8-17(9-7-15)23-25-19(14-30-23)20-13-18(22(24)29)16(2)27(20)12-4-11-26-10-3-5-21(26)28/h6-9,13-14H,3-5,10-12H2,1-2H3,(H2,24,29).
What are the key properties of 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide?
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrrole-3-carboxamide is sourced from PubChem (CID 3860026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).