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

C12H20N2S — CID 63994523

IUPACN-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCC(C)CC2C)n1
InChIInChI=1S/C12H20N2S/c1-8-4-5-11(9(2)6-8)14-12-13-10(3)7-15-12/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyVGXKDXCNYVUYQA-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.69
Rot. Bonds2

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

N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 63994523) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID63994523
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCC(C)CC2C)n1
InChIInChI=1S/C12H20N2S/c1-8-4-5-11(9(2)6-8)14-12-13-10(3)7-15-12/h7-9,11H,4-6H2,1-3H3,(H,13,14)
InChIKeyVGXKDXCNYVUYQA-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine (CID 63994523) is N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(NC2CCC(C)CC2C)n1.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is VGXKDXCNYVUYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-4-5-11(9(2)6-8)14-12-13-10(3)7-15-12/h7-9,11H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine?
N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63994523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).