2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

C17H27N3O2S — CID 111331762

IUPAC2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CN2CCN(C(=O)CC3(O)CCCCC3)CC2)cs1
InChIInChI=1S/C17H27N3O2S/c1-14-18-15(13-23-14)12-19-7-9-20(10-8-19)16(21)11-17(22)5-3-2-4-6-17/h13,22H,2-12H2,1H3
InChIKeyOGLRRVORPXOBMI-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.18
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone

2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 111331762) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID111331762
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCc1nc(CN2CCN(C(=O)CC3(O)CCCCC3)CC2)cs1
InChIInChI=1S/C17H27N3O2S/c1-14-18-15(13-23-14)12-19-7-9-20(10-8-19)16(21)11-17(22)5-3-2-4-6-17/h13,22H,2-12H2,1H3
InChIKeyOGLRRVORPXOBMI-UHFFFAOYSA-N
XLogP2.18
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

3-chloro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54875385
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54872835
5-chloro-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pentan-1-one
CID 60948305
4-hydroxy-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pentan-1-one
CID 79205083
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 63143419
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119112229
2-amino-2-methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 61265442
(3-methylpyrrolidin-3-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119399484
2-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 62636980
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
3-amino-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-4-oxobutanamide;trihydrochloride
CID 119955642

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 111331762) is 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is Cc1nc(CN2CCN(C(=O)CC3(O)CCCCC3)CC2)cs1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is OGLRRVORPXOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-14-18-15(13-23-14)12-19-7-9-20(10-8-19)16(21)11-17(22)5-3-2-4-6-17/h13,22H,2-12H2,1H3.
What are the key properties of 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone?
2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 337.49 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 111331762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).