N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride

C15H25ClN2S — CID 3057292

IUPACN,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride
SMILES[Cl-].c1sc[n+](C2CCCCC2)c1NC1CCCCC1
InChIInChI=1S/C15H25N2S.ClH/c1-3-7-13(8-4-1)16-15-11-18-12-17(15)14-9-5-2-6-10-14;/h11-14,16H,1-10H2;1H/q+1;/p-1
InChIKeyFNLYTUOVFYDUSX-UHFFFAOYSA-M
MW300.90 g/mol
LogP1.29
Rot. Bonds3

About N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride

N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride (PubChem CID 3057292) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride.

Molecular Properties

Compound NameN,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride
PubChem CID3057292
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC NameN,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride
SMILES[Cl-].c1sc[n+](C2CCCCC2)c1NC1CCCCC1
InChIInChI=1S/C15H25N2S.ClH/c1-3-7-13(8-4-1)16-15-11-18-12-17(15)14-9-5-2-6-10-14;/h11-14,16H,1-10H2;1H/q+1;/p-1
InChIKeyFNLYTUOVFYDUSX-UHFFFAOYSA-M
XLogP1.29
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride 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 N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride?
The IUPAC name of N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride (CID 3057292) is N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride.
What is the SMILES notation for N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride?
The canonical SMILES for N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride is [Cl-].c1sc[n+](C2CCCCC2)c1NC1CCCCC1.
What is the InChIKey of N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride?
The InChIKey is FNLYTUOVFYDUSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H25N2S.ClH/c1-3-7-13(8-4-1)16-15-11-18-12-17(15)14-9-5-2-6-10-14;/h11-14,16H,1-10H2;1H/q+1;/p-1.
What are the key properties of N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride?
N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride has a molecular weight of 300.90 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine chloride is sourced from PubChem (CID 3057292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).