4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride

C14H23ClN2S — CID 120558204

IUPAC4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCl.c1sc(C2CCNCC2)nc1C1CCCCC1
InChIInChI=1S/C14H22N2S.ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;/h10-12,15H,1-9H2;1H
InChIKeyHEQIETWMDNBTQJ-UHFFFAOYSA-N
MW286.87 g/mol
LogP4.08
Rot. Bonds2

About 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride

4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 120558204) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
PubChem CID120558204
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC Name4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCl.c1sc(C2CCNCC2)nc1C1CCCCC1
InChIInChI=1S/C14H22N2S.ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;/h10-12,15H,1-9H2;1H
InChIKeyHEQIETWMDNBTQJ-UHFFFAOYSA-N
XLogP4.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride (CID 120558204) is 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride is Cl.c1sc(C2CCNCC2)nc1C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is HEQIETWMDNBTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S.ClH/c1-2-4-11(5-3-1)13-10-17-14(16-13)12-6-8-15-9-7-12;/h10-12,15H,1-9H2;1H.
What are the key properties of 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 286.87 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120558204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).