2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine

C9H15N3S — CID 22764195

IUPAC2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine
SMILES[H]/N=C1\CSC(N2CCC(CC)C2)=N1
InChIInChI=1S/C9H15N3S/c1-2-7-3-4-12(5-7)9-11-8(10)6-13-9/h7,10H,2-6H2,1H3/b10-8+
InChIKeyNSJHZTJEMIXWTI-CSKARUKUSA-N
MW197.31 g/mol
LogP1.80
Rot. Bonds1

About 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine

2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine (PubChem CID 22764195) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine
PubChem CID22764195
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine
SMILES[H]/N=C1\CSC(N2CCC(CC)C2)=N1
InChIInChI=1S/C9H15N3S/c1-2-7-3-4-12(5-7)9-11-8(10)6-13-9/h7,10H,2-6H2,1H3/b10-8+
InChIKeyNSJHZTJEMIXWTI-CSKARUKUSA-N
XLogP1.80
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine?
The IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine (CID 22764195) is 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine.
What is the SMILES notation for 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine?
The canonical SMILES for 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine is [H]/N=C1\CSC(N2CCC(CC)C2)=N1.
What is the InChIKey of 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine?
The InChIKey is NSJHZTJEMIXWTI-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15N3S/c1-2-7-3-4-12(5-7)9-11-8(10)6-13-9/h7,10H,2-6H2,1H3/b10-8+.
What are the key properties of 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine?
2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine has a molecular weight of 197.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-1-yl)-1,3-thiazol-4-imine is sourced from PubChem (CID 22764195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).