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

C15H25N2S+ — CID 3057293

IUPACN,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine
SMILESc1sc[n+](C2CCCCC2)c1NC1CCCCC1
InChIInChI=1S/C15H25N2S/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/q+1
InChIKeyJRHDXLPRFWPTAN-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.29
Rot. Bonds3

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

N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine (PubChem CID 3057293) has the molecular formula C15H25N2S+ and a molecular weight of 265.45 g/mol. Its IUPAC name is N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine.

Molecular Properties

Compound NameN,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine
PubChem CID3057293
Molecular FormulaC15H25N2S+
Molecular Weight265.45 g/mol
Exact Mass265.17
IUPAC NameN,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine
SMILESc1sc[n+](C2CCCCC2)c1NC1CCCCC1
InChIInChI=1S/C15H25N2S/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/q+1
InChIKeyJRHDXLPRFWPTAN-UHFFFAOYSA-N
XLogP4.29
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine?
The IUPAC name of N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine (CID 3057293) is N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine.
What is the SMILES notation for N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine?
The canonical SMILES for N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine is c1sc[n+](C2CCCCC2)c1NC1CCCCC1.
What is the InChIKey of N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine?
The InChIKey is JRHDXLPRFWPTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N2S/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/q+1.
What are the key properties of N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine?
N,3-dicyclohexyl-1,3-thiazol-3-ium-4-amine has a molecular weight of 265.45 g/mol, XLogP of 4.29, 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 is sourced from PubChem (CID 3057293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).