2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide

C17H23N3OS — CID 3870206

IUPAC2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2csc(C)n2)n(CC(C)C)c1C
InChIInChI=1S/C17H23N3OS/c1-6-7-18-17(21)14-8-16(15-10-22-13(5)19-15)20(12(14)4)9-11(2)3/h6,8,10-11H,1,7,9H2,2-5H3,(H,18,21)
InChIKeySRAVNYVRFWYURN-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.80
Rot. Bonds6

About 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide

2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide (PubChem CID 3870206) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide
PubChem CID3870206
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCNC(=O)c1cc(-c2csc(C)n2)n(CC(C)C)c1C
InChIInChI=1S/C17H23N3OS/c1-6-7-18-17(21)14-8-16(15-10-22-13(5)19-15)20(12(14)4)9-11(2)3/h6,8,10-11H,1,7,9H2,2-5H3,(H,18,21)
InChIKeySRAVNYVRFWYURN-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3863507
ethyl 4-[5-methyl-1-(2-methylpropyl)-4-(2-methylpropylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate
CID 3676562
ethyl 4-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-(prop-2-enylcarbamoyl)pyrrol-2-yl]-1,3-thiazole-2-carboxylate
CID 3705176
N-(2-methoxyethyl)-1-(3-methoxypropyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3476879
N-butan-2-yl-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxamide
CID 3528962
5-[2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2-methyl-N-prop-2-enylpyrrole-3-carboxamide
CID 3611364
N-butan-2-yl-2-methyl-1-(2-methylpropyl)-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]pyrrole-3-carboxamide
CID 5004917
N-butan-2-yl-5-[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-2-methyl-1-(2-methylpropyl)pyrrole-3-carboxamide
CID 3524683
1-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 4254737
N-(2-ethylhexyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 3687242
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-methoxyethyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)pyrrole-3-carboxamide
CID 3759435
1-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-2-methyl-N-(2-methylpropyl)pyrrole-3-carboxamide
CID 3643715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide (CID 3870206) is 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide is C=CCNC(=O)c1cc(-c2csc(C)n2)n(CC(C)C)c1C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide?
The InChIKey is SRAVNYVRFWYURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-6-7-18-17(21)14-8-16(15-10-22-13(5)19-15)20(12(14)4)9-11(2)3/h6,8,10-11H,1,7,9H2,2-5H3,(H,18,21).
What are the key properties of 2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide?
2-methyl-1-(2-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.80, 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-methylpropyl)-5-(2-methyl-1,3-thiazol-4-yl)-N-prop-2-enylpyrrole-3-carboxamide is sourced from PubChem (CID 3870206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).