4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine

C15H20N2S — CID 56972572

IUPAC4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine
SMILESCCCC(C)n1c(C)cs/c1=N\c1ccccc1
InChIInChI=1S/C15H20N2S/c1-4-8-12(2)17-13(3)11-18-15(17)16-14-9-6-5-7-10-14/h5-7,9-12H,4,8H2,1-3H3/b16-15-
InChIKeyITZDCYHYSWIJKI-NXVVXOECSA-N
MW260.41 g/mol
LogP4.45
Rot. Bonds4

About 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine

4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine (PubChem CID 56972572) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine
PubChem CID56972572
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine
SMILESCCCC(C)n1c(C)cs/c1=N\c1ccccc1
InChIInChI=1S/C15H20N2S/c1-4-8-12(2)17-13(3)11-18-15(17)16-14-9-6-5-7-10-14/h5-7,9-12H,4,8H2,1-3H3/b16-15-
InChIKeyITZDCYHYSWIJKI-NXVVXOECSA-N
XLogP4.45
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-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 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine?
The IUPAC name of 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine (CID 56972572) is 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine is CCCC(C)n1c(C)cs/c1=N\c1ccccc1.
What is the InChIKey of 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine?
The InChIKey is ITZDCYHYSWIJKI-NXVVXOECSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-8-12(2)17-13(3)11-18-15(17)16-14-9-6-5-7-10-14/h5-7,9-12H,4,8H2,1-3H3/b16-15-.
What are the key properties of 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine?
4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine has a molecular weight of 260.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pentan-2-yl-N-phenyl-1,3-thiazol-2-imine is sourced from PubChem (CID 56972572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).