2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide

C20H23N3OS — CID 8534104

IUPAC2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)cc2)cs1
InChIInChI=1S/C20H23N3OS/c1-12(2)23-13(3)10-18(14(23)4)20(24)22-17-8-6-16(7-9-17)19-11-25-15(5)21-19/h6-12H,1-5H3,(H,22,24)
InChIKeyMQAJTTZVLCDLTH-UHFFFAOYSA-N
MW353.49 g/mol
LogP5.37
Rot. Bonds4

About 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide

2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 8534104) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID8534104
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1nc(-c2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)cc2)cs1
InChIInChI=1S/C20H23N3OS/c1-12(2)23-13(3)10-18(14(23)4)20(24)22-17-8-6-16(7-9-17)19-11-25-15(5)21-19/h6-12H,1-5H3,(H,22,24)
InChIKeyMQAJTTZVLCDLTH-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.49
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
methyl 2-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]benzoate
CID 108727336
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 8884375
4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
5-bromo-2-fluoro-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 8534184
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
2,4,5-trifluoro-3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286618
methyl N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamate
CID 108727310
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 8534241
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 8541293
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-(2-propan-2-yltetrazol-5-yl)acetamide
CID 46970706

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide (CID 8534104) is 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide is Cc1nc(-c2ccc(NC(=O)c3cc(C)n(C(C)C)c3C)cc2)cs1.
What is the InChIKey of 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is MQAJTTZVLCDLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-12(2)23-13(3)10-18(14(23)4)20(24)22-17-8-6-16(7-9-17)19-11-25-15(5)21-19/h6-12H,1-5H3,(H,22,24).
What are the key properties of 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 5.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 8534104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).