5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H24N2S — CID 63296707

IUPAC5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCC(C)NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H24N2S/c1-3-4-5-6-10(2)15-13-14-9-12(16-13)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyYPBZRNJKAUJWPC-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.43
Rot. Bonds6

About 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 63296707) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID63296707
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCC(C)NC1=NCC(C2CC2)S1
InChIInChI=1S/C13H24N2S/c1-3-4-5-6-10(2)15-13-14-9-12(16-13)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,14,15)
InChIKeyYPBZRNJKAUJWPC-UHFFFAOYSA-N
XLogP3.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine 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 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 63296707) is 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCCCCC(C)NC1=NCC(C2CC2)S1.
What is the InChIKey of 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YPBZRNJKAUJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-4-5-6-10(2)15-13-14-9-12(16-13)11-7-8-11/h10-12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 240.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-heptan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 63296707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).