2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride

C16H25ClN2OS — CID 67468256

IUPAC2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride
SMILESO=C(CC1CCCCC1)c1csc(C2CC[NH2+]CC2)n1.[Cl-]
InChIInChI=1S/C16H24N2OS.ClH/c19-15(10-12-4-2-1-3-5-12)14-11-20-16(18-14)13-6-8-17-9-7-13;/h11-13,17H,1-10H2;1H
InChIKeyDYINCUXGOOPAMD-UHFFFAOYSA-N
MW328.91 g/mol
LogP-0.26
Rot. Bonds4

About 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride

2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride (PubChem CID 67468256) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride.

Molecular Properties

Compound Name2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride
PubChem CID67468256
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride
SMILESO=C(CC1CCCCC1)c1csc(C2CC[NH2+]CC2)n1.[Cl-]
InChIInChI=1S/C16H24N2OS.ClH/c19-15(10-12-4-2-1-3-5-12)14-11-20-16(18-14)13-6-8-17-9-7-13;/h11-13,17H,1-10H2;1H
InChIKeyDYINCUXGOOPAMD-UHFFFAOYSA-N
XLogP-0.26
TPSA46.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-Aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclopentyl)ethanone
CID 114225576
1-[2-(1-Aminoethyl)-1,3-thiazol-4-yl]-2-(3,3-difluorocyclohexyl)ethanone
CID 114225577
1-(2-Piperidin-4-yl-1,3-thiazol-4-yl)ethanone
CID 59863035
1-(2-Piperidin-4-yl-1,3-thiazol-4-yl)ethanone;hydrochloride
CID 67436260
2-Cyclohexyl-1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone
CID 67468257
tert-Butyl 4-[4-(cyclohexylacetyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 67468980
2-Methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)undecan-1-one
CID 71014642
1-[2-[(3S)-piperidin-3-yl]-1,3-thiazol-4-yl]ethanone
CID 71187972
4-[4-(2-Cyclohexylacetyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 89846827
(2-Cyclohexyl-1,3-thiazol-4-yl)-cyclopentylmethanone
CID 134309927
2-Azabicyclo[3.1.1]heptan-3-yl(1,3-thiazol-4-yl)methanone
CID 137526829
2-Azabicyclo[3.1.1]heptan-1-yl(1,3-thiazol-4-yl)methanone
CID 137526830

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride?
The IUPAC name of 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride (CID 67468256) is 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride.
What is the SMILES notation for 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride?
The canonical SMILES for 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride is O=C(CC1CCCCC1)c1csc(C2CC[NH2+]CC2)n1.[Cl-].
What is the InChIKey of 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride?
The InChIKey is DYINCUXGOOPAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c19-15(10-12-4-2-1-3-5-12)14-11-20-16(18-14)13-6-8-17-9-7-13;/h11-13,17H,1-10H2;1H.
What are the key properties of 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride?
2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride has a molecular weight of 328.91 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2-piperidin-1-ium-4-yl-1,3-thiazol-4-yl)ethanone chloride is sourced from PubChem (CID 67468256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).