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

C12H20N2S — CID 59571076

IUPACN-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCCC2CCCCC2)n1
InChIInChI=1S/C12H20N2S/c1-10-9-15-12(14-10)13-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyIIIGPUDBTSPMRT-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.83
Rot. Bonds4

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

N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 59571076) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID59571076
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NCCC2CCCCC2)n1
InChIInChI=1S/C12H20N2S/c1-10-9-15-12(14-10)13-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyIIIGPUDBTSPMRT-UHFFFAOYSA-N
XLogP3.83
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine (CID 59571076) is N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(NCCC2CCCCC2)n1.
What is the InChIKey of N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is IIIGPUDBTSPMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-10-9-15-12(14-10)13-8-7-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine?
N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 59571076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).