4-octyl-1,3-thiazol-2-amine

C11H20N2S — CID 10856807

IUPAC4-octyl-1,3-thiazol-2-amine
SMILESCCCCCCCCc1csc(N)n1
InChIInChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-10-9-14-11(12)13-10/h9H,2-8H2,1H3,(H2,12,13)
InChIKeyRZTWKKHZEZUCHD-UHFFFAOYSA-N
MW212.36 g/mol
LogP3.63
Rot. Bonds7

About 4-octyl-1,3-thiazol-2-amine

4-octyl-1,3-thiazol-2-amine (PubChem CID 10856807) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-octyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-octyl-1,3-thiazol-2-amine
PubChem CID10856807
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name4-octyl-1,3-thiazol-2-amine
SMILESCCCCCCCCc1csc(N)n1
InChIInChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-10-9-14-11(12)13-10/h9H,2-8H2,1H3,(H2,12,13)
InChIKeyRZTWKKHZEZUCHD-UHFFFAOYSA-N
XLogP3.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-octyl-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-octyl-1,3-thiazol-2-amine?
The IUPAC name of 4-octyl-1,3-thiazol-2-amine (CID 10856807) is 4-octyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-octyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-octyl-1,3-thiazol-2-amine is CCCCCCCCc1csc(N)n1.
What is the InChIKey of 4-octyl-1,3-thiazol-2-amine?
The InChIKey is RZTWKKHZEZUCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-3-4-5-6-7-8-10-9-14-11(12)13-10/h9H,2-8H2,1H3,(H2,12,13).
What are the key properties of 4-octyl-1,3-thiazol-2-amine?
4-octyl-1,3-thiazol-2-amine has a molecular weight of 212.36 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octyl-1,3-thiazol-2-amine is sourced from PubChem (CID 10856807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).