1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one

C17H21N3OS — CID 2381300

IUPAC1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one
SMILESCc1cs/c(=N\c2ccccc2)n1CCCN1CCCC1=O
InChIInChI=1S/C17H21N3OS/c1-14-13-22-17(18-15-7-3-2-4-8-15)20(14)12-6-11-19-10-5-9-16(19)21/h2-4,7-8,13H,5-6,9-12H2,1H3/b18-17-
InChIKeySNOZXANAQLENQX-ZCXUNETKSA-N
MW315.44 g/mol
LogP3.10
Rot. Bonds5

About 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one

1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one (PubChem CID 2381300) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one
PubChem CID2381300
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one
SMILESCc1cs/c(=N\c2ccccc2)n1CCCN1CCCC1=O
InChIInChI=1S/C17H21N3OS/c1-14-13-22-17(18-15-7-3-2-4-8-15)20(14)12-6-11-19-10-5-9-16(19)21/h2-4,7-8,13H,5-6,9-12H2,1H3/b18-17-
InChIKeySNOZXANAQLENQX-ZCXUNETKSA-N
XLogP3.10
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

Analyze 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one 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-(4,5-dihydro-1,3-thiazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 647039
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 2998505
N-cyclohexyl-2-[3-methyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]acetamide
CID 5181726
2-[(Z)-4-Fluoro-phenylimino]-3-methyl-thiazolidin-4-one
CID 1495114
1-(2-Phenylimino-1,3-thiazinan-3-yl)ethanone
CID 2426852
2,5-dioxo-1-phenylpyrrolidin-3-yl N,N'-diethylcarbamimidothioate
CID 2833588
3-(3-Morpholinopropyl)-2-(phenylimino)-4-thiazolidinone
CID 3043420
2-[(2E)-3-isopropyl-2-(isopropylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 3151584
2-[3-butyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-yl]-N-ethylacetamide
CID 4657175
(2E)-2-(phenylimino)-3-propyl-1,3-thiazolidin-4-one
CID 399675
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 3147899
(Z)-3-ethyl-2-((4-((Z)-phenyldiazenyl)phenyl)imino)thiazolidin-4-one
CID 4557403

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one (CID 2381300) is 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one is Cc1cs/c(=N\c2ccccc2)n1CCCN1CCCC1=O.
What is the InChIKey of 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one?
The InChIKey is SNOZXANAQLENQX-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-14-13-22-17(18-15-7-3-2-4-8-15)20(14)12-6-11-19-10-5-9-16(19)21/h2-4,7-8,13H,5-6,9-12H2,1H3/b18-17-.
What are the key properties of 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one?
1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one has a molecular weight of 315.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 2381300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).