cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C17H27N3OS — CID 51092653

IUPACcyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCc1nc(CN2CCN(C(=O)C3CCCCC3)CC2)cs1
InChIInChI=1S/C17H27N3OS/c1-2-16-18-15(13-22-16)12-19-8-10-20(11-9-19)17(21)14-6-4-3-5-7-14/h13-14H,2-12H2,1H3
InChIKeyUMHPHYNUHZQOQK-UHFFFAOYSA-N
MW321.49 g/mol
LogP2.93
Rot. Bonds4

About cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 51092653) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID51092653
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Namecyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCc1nc(CN2CCN(C(=O)C3CCCCC3)CC2)cs1
InChIInChI=1S/C17H27N3OS/c1-2-16-18-15(13-22-16)12-19-8-10-20(11-9-19)17(21)14-6-4-3-5-7-14/h13-14H,2-12H2,1H3
InChIKeyUMHPHYNUHZQOQK-UHFFFAOYSA-N
XLogP2.93
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 51092653) is cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is CCc1nc(CN2CCN(C(=O)C3CCCCC3)CC2)cs1.
What is the InChIKey of cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is UMHPHYNUHZQOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-2-16-18-15(13-22-16)12-19-8-10-20(11-9-19)17(21)14-6-4-3-5-7-14/h13-14H,2-12H2,1H3.
What are the key properties of cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 321.49 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 51092653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).