4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole

C18H30N2S — CID 69303483

IUPAC4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole
SMILESCC(C)C(c1nc(C2CCCCC2)cs1)C1CCNCC1
InChIInChI=1S/C18H30N2S/c1-13(2)17(15-8-10-19-11-9-15)18-20-16(12-21-18)14-6-4-3-5-7-14/h12-15,17,19H,3-11H2,1-2H3
InChIKeyAAAITNIFOOTYDS-UHFFFAOYSA-N
MW306.52 g/mol
LogP4.93
Rot. Bonds4

About 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole

4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole (PubChem CID 69303483) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole
PubChem CID69303483
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole
SMILESCC(C)C(c1nc(C2CCCCC2)cs1)C1CCNCC1
InChIInChI=1S/C18H30N2S/c1-13(2)17(15-8-10-19-11-9-15)18-20-16(12-21-18)14-6-4-3-5-7-14/h12-15,17,19H,3-11H2,1-2H3
InChIKeyAAAITNIFOOTYDS-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole?
The IUPAC name of 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole (CID 69303483) is 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole.
What is the SMILES notation for 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole?
The canonical SMILES for 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole is CC(C)C(c1nc(C2CCCCC2)cs1)C1CCNCC1.
What is the InChIKey of 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole?
The InChIKey is AAAITNIFOOTYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2S/c1-13(2)17(15-8-10-19-11-9-15)18-20-16(12-21-18)14-6-4-3-5-7-14/h12-15,17,19H,3-11H2,1-2H3.
What are the key properties of 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole?
4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole has a molecular weight of 306.52 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(2-methyl-1-piperidin-4-ylpropyl)-1,3-thiazole is sourced from PubChem (CID 69303483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).