4-hexyl-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2S — CID 167088667

IUPAC4-hexyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCCC1CSC(N)=N1
InChIInChI=1S/C9H18N2S/c1-2-3-4-5-6-8-7-12-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyCKJXOUXDEWUGDC-UHFFFAOYSA-N
MW186.32 g/mol
LogP2.39
Rot. Bonds5

About 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine

4-hexyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 167088667) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-hexyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID167088667
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name4-hexyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCCCCCC1CSC(N)=N1
InChIInChI=1S/C9H18N2S/c1-2-3-4-5-6-8-7-12-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11)
InChIKeyCKJXOUXDEWUGDC-UHFFFAOYSA-N
XLogP2.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-hexyl-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 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine (CID 167088667) is 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine is CCCCCCC1CSC(N)=N1.
What is the InChIKey of 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CKJXOUXDEWUGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-3-4-5-6-8-7-12-9(10)11-8/h8H,2-7H2,1H3,(H2,10,11).
What are the key properties of 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine?
4-hexyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 186.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 167088667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).