N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine

C11H18N2S — CID 79047349

IUPACN-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine
SMILESCC1CCCC(C)C1Nc1nccs1
InChIInChI=1S/C11H18N2S/c1-8-4-3-5-9(2)10(8)13-11-12-6-7-14-11/h6-10H,3-5H2,1-2H3,(H,12,13)
InChIKeyBHJFXAODIWRSQB-UHFFFAOYSA-N
MW210.35 g/mol
LogP3.38
Rot. Bonds2

About N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine

N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 79047349) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID79047349
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC NameN-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine
SMILESCC1CCCC(C)C1Nc1nccs1
InChIInChI=1S/C11H18N2S/c1-8-4-3-5-9(2)10(8)13-11-12-6-7-14-11/h6-10H,3-5H2,1-2H3,(H,12,13)
InChIKeyBHJFXAODIWRSQB-UHFFFAOYSA-N
XLogP3.38
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine (CID 79047349) is N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine is CC1CCCC(C)C1Nc1nccs1.
What is the InChIKey of N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is BHJFXAODIWRSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-8-4-3-5-9(2)10(8)13-11-12-6-7-14-11/h6-10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine?
N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 210.35 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79047349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).