N-(1,3-thiazol-4-ylmethyl)cyclohexanamine

C10H16N2S — CID 60683700

IUPACN-(1,3-thiazol-4-ylmethyl)cyclohexanamine
SMILESc1nc(CNC2CCCCC2)cs1
InChIInChI=1S/C10H16N2S/c1-2-4-9(5-3-1)11-6-10-7-13-8-12-10/h7-9,11H,1-6H2
InChIKeyNVPOYFAFEPBKCE-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.57
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)cyclohexanamine

N-(1,3-thiazol-4-ylmethyl)cyclohexanamine (PubChem CID 60683700) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)cyclohexanamine
PubChem CID60683700
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-(1,3-thiazol-4-ylmethyl)cyclohexanamine
SMILESc1nc(CNC2CCCCC2)cs1
InChIInChI=1S/C10H16N2S/c1-2-4-9(5-3-1)11-6-10-7-13-8-12-10/h7-9,11H,1-6H2
InChIKeyNVPOYFAFEPBKCE-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)cyclohexanamine?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)cyclohexanamine (CID 60683700) is N-(1,3-thiazol-4-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)cyclohexanamine is c1nc(CNC2CCCCC2)cs1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)cyclohexanamine?
The InChIKey is NVPOYFAFEPBKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-4-9(5-3-1)11-6-10-7-13-8-12-10/h7-9,11H,1-6H2.
What are the key properties of N-(1,3-thiazol-4-ylmethyl)cyclohexanamine?
N-(1,3-thiazol-4-ylmethyl)cyclohexanamine has a molecular weight of 196.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)cyclohexanamine is sourced from PubChem (CID 60683700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).