2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine

C12H20N2S — CID 61338039

IUPAC2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc(C2CCCCC2)cs1
InChIInChI=1S/C12H20N2S/c1-12(2,13)11-14-10(8-15-11)9-6-4-3-5-7-9/h8-9H,3-7,13H2,1-2H3
InChIKeyVELOLCGNELGYNQ-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.38
Rot. Bonds2

About 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine

2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 61338039) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID61338039
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)(N)c1nc(C2CCCCC2)cs1
InChIInChI=1S/C12H20N2S/c1-12(2,13)11-14-10(8-15-11)9-6-4-3-5-7-9/h8-9H,3-7,13H2,1-2H3
InChIKeyVELOLCGNELGYNQ-UHFFFAOYSA-N
XLogP3.38
TPSA38.91 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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine (CID 61338039) is 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine is CC(C)(N)c1nc(C2CCCCC2)cs1.
What is the InChIKey of 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is VELOLCGNELGYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-12(2,13)11-14-10(8-15-11)9-6-4-3-5-7-9/h8-9H,3-7,13H2,1-2H3.
What are the key properties of 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine?
2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 224.37 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 2-(4-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 61338039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).