1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one

C15H17N3OS — CID 28781574

IUPAC1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1nc(CNc2cccc(N3CCCC3=O)c2)cs1
InChIInChI=1S/C15H17N3OS/c1-11-17-13(10-20-11)9-16-12-4-2-5-14(8-12)18-7-3-6-15(18)19/h2,4-5,8,10,16H,3,6-7,9H2,1H3
InChIKeyWZGBOOPABJKSLN-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.19
Rot. Bonds4

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

1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 28781574) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID28781574
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1nc(CNc2cccc(N3CCCC3=O)c2)cs1
InChIInChI=1S/C15H17N3OS/c1-11-17-13(10-20-11)9-16-12-4-2-5-14(8-12)18-7-3-6-15(18)19/h2,4-5,8,10,16H,3,6-7,9H2,1H3
InChIKeyWZGBOOPABJKSLN-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]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

1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680051
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzamide
CID 43693975
1-[3-[[(6-methyl-2-pyridinyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 133482001
1-[3-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]pyrrolidin-2-one
CID 63992626
5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115652504
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-phenoxyaniline
CID 60688412

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one (CID 28781574) is 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one is Cc1nc(CNc2cccc(N3CCCC3=O)c2)cs1.
What is the InChIKey of 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is WZGBOOPABJKSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-17-13(10-20-11)9-16-12-4-2-5-14(8-12)18-7-3-6-15(18)19/h2,4-5,8,10,16H,3,6-7,9H2,1H3.
What are the key properties of 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one?
1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 28781574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).