N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine

C13H22N2S — CID 79870218

IUPACN-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCCC2(C)C)sc1C
InChIInChI=1S/C13H22N2S/c1-9-10(2)16-12(14-9)15-11-7-5-6-8-13(11,3)4/h11H,5-8H2,1-4H3,(H,14,15)
InChIKeyHMBLNLZPLFSTMI-UHFFFAOYSA-N
MW238.40 g/mol
LogP4.14
Rot. Bonds2

About N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine

N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 79870218) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
PubChem CID79870218
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCCC2(C)C)sc1C
InChIInChI=1S/C13H22N2S/c1-9-10(2)16-12(14-9)15-11-7-5-6-8-13(11,3)4/h11H,5-8H2,1-4H3,(H,14,15)
InChIKeyHMBLNLZPLFSTMI-UHFFFAOYSA-N
XLogP4.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine (CID 79870218) is N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine is Cc1nc(NC2CCCCC2(C)C)sc1C.
What is the InChIKey of N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is HMBLNLZPLFSTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-9-10(2)16-12(14-9)15-11-7-5-6-8-13(11,3)4/h11H,5-8H2,1-4H3,(H,14,15).
What are the key properties of N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine?
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 238.40 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79870218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).