1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one

C11H19N3OS — CID 136864241

IUPAC1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one
SMILESCC(C)C1CS/C(=N\C2CCN(C)C2=O)N1
InChIInChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(13-9)12-8-4-5-14(3)10(8)15/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeySPBSIEXMTVOLKY-UHFFFAOYSA-N
MW241.36 g/mol
LogP0.93
Rot. Bonds2

About 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one

1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one (PubChem CID 136864241) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one
PubChem CID136864241
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one
SMILESCC(C)C1CS/C(=N\C2CCN(C)C2=O)N1
InChIInChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(13-9)12-8-4-5-14(3)10(8)15/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeySPBSIEXMTVOLKY-UHFFFAOYSA-N
XLogP0.93
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]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

3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]piperidin-2-one
CID 136871758
1-methyl-3-(8-oxa-3-thia-1-azaspiro[4.5]decan-2-ylideneamino)pyrrolidin-2-one
CID 136730472
N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871888
4-propan-2-yl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-thiazolidin-2-imine
CID 136871816
N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871731
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871806
2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136871645
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
N-[(2-methylpyrazol-3-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871794
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871885
N-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136938506
1-methyl-3-phosphanylpyrrolidin-2-one
CID 90168334

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one (CID 136864241) is 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one is CC(C)C1CS/C(=N\C2CCN(C)C2=O)N1.
What is the InChIKey of 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one?
The InChIKey is SPBSIEXMTVOLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-7(2)9-6-16-11(13-9)12-8-4-5-14(3)10(8)15/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one?
1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one has a molecular weight of 241.36 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]pyrrolidin-2-one is sourced from PubChem (CID 136864241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).