N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine

C12H22N2S — CID 2731009

IUPACN-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CC(NC2=NCCS2)CC(C)(C)C1
InChIInChI=1S/C12H22N2S/c1-9-6-10(8-12(2,3)7-9)14-11-13-4-5-15-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyCCPFNSMVVHWHSC-UHFFFAOYSA-N
MW226.39 g/mol
LogP2.89
Rot. Bonds1

About N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2731009) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2731009
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC NameN-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CC(NC2=NCCS2)CC(C)(C)C1
InChIInChI=1S/C12H22N2S/c1-9-6-10(8-12(2,3)7-9)14-11-13-4-5-15-11/h9-10H,4-8H2,1-3H3,(H,13,14)
InChIKeyCCPFNSMVVHWHSC-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 2731009) is N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine is CC1CC(NC2=NCCS2)CC(C)(C)C1.
What is the InChIKey of N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CCPFNSMVVHWHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-9-6-10(8-12(2,3)7-9)14-11-13-4-5-15-11/h9-10H,4-8H2,1-3H3,(H,13,14).
What are the key properties of N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.39 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,5-trimethylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2731009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).