1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C21H19N3O2S — CID 134037190

IUPAC1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C21H19N3O2S/c25-19(11-10-16-7-3-6-15-5-1-2-8-17(15)16)24-13-4-9-18(24)20(26)23-21-22-12-14-27-21/h1-3,5-8,10-12,14,18H,4,9,13H2,(H,22,23,26)/b11-10+
InChIKeyVEJBAYNLXZEALE-ZHACJKMWSA-N
MW377.47 g/mol
LogP3.94
Rot. Bonds4

About 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 134037190) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID134037190
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1C(=O)/C=C/c1cccc2ccccc12
InChIInChI=1S/C21H19N3O2S/c25-19(11-10-16-7-3-6-15-5-1-2-8-17(15)16)24-13-4-9-18(24)20(26)23-21-22-12-14-27-21/h1-3,5-8,10-12,14,18H,4,9,13H2,(H,22,23,26)/b11-10+
InChIKeyVEJBAYNLXZEALE-ZHACJKMWSA-N
XLogP3.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-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

1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 134034740
ethyl 1-(3-naphthalen-1-ylprop-2-enoyl)pyrrolidine-2-carboxylate
CID 3943281
1-[(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55597555
N-(1,3-thiazol-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4883035
1-(2-methylbenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 46758046
1-[3-(3-methylphenyl)propanoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 154802314
1-[3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 55597133
1-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136576502
(2S)-1-(3-ethoxybenzoyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 94604846
2-naphthalen-1-yl-N-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 91300262
1-N-(3,3-diphenylpropyl)-2-N-(1,3-thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 42961197
1-[2-(5-methylthiophen-2-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136579036

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 134037190) is 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1C(=O)/C=C/c1cccc2ccccc12.
What is the InChIKey of 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is VEJBAYNLXZEALE-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H19N3O2S/c25-19(11-10-16-7-3-6-15-5-1-2-8-17(15)16)24-13-4-9-18(24)20(26)23-21-22-12-14-27-21/h1-3,5-8,10-12,14,18H,4,9,13H2,(H,22,23,26)/b11-10+.
What are the key properties of 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-naphthalen-1-ylprop-2-enoyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 134037190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).