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

C12H22N2S — CID 43440162

IUPAC4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC2CCCC(C)C2)=N1
InChIInChI=1S/C12H22N2S/c1-3-10-8-15-12(13-10)14-11-6-4-5-9(2)7-11/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyIHIGKTQTOXGCHY-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.04
Rot. Bonds2

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

4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 43440162) has the molecular formula C12H22N2S and a molecular weight of 226.39 g/mol. Its IUPAC name is 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID43440162
Molecular FormulaC12H22N2S
Molecular Weight226.39 g/mol
Exact Mass226.15
IUPAC Name4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(NC2CCCC(C)C2)=N1
InChIInChI=1S/C12H22N2S/c1-3-10-8-15-12(13-10)14-11-6-4-5-9(2)7-11/h9-11H,3-8H2,1-2H3,(H,13,14)
InChIKeyIHIGKTQTOXGCHY-UHFFFAOYSA-N
XLogP3.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 43440162) is 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(NC2CCCC(C)C2)=N1.
What is the InChIKey of 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is IHIGKTQTOXGCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2S/c1-3-10-8-15-12(13-10)14-11-6-4-5-9(2)7-11/h9-11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 226.39 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 43440162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).