(4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone

C20H27N3O2S — CID 3331849

IUPAC(4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone
SMILESCCOc1ccc2nc(C(=O)N3CCN(C4CCCCC4)CC3)sc2c1
InChIInChI=1S/C20H27N3O2S/c1-2-25-16-8-9-17-18(14-16)26-19(21-17)20(24)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h8-9,14-15H,2-7,10-13H2,1H3
InChIKeyWPSJGPTYODLIHP-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.79
Rot. Bonds4

About (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone (PubChem CID 3331849) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone
PubChem CID3331849
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone
SMILESCCOc1ccc2nc(C(=O)N3CCN(C4CCCCC4)CC3)sc2c1
InChIInChI=1S/C20H27N3O2S/c1-2-25-16-8-9-17-18(14-16)26-19(21-17)20(24)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h8-9,14-15H,2-7,10-13H2,1H3
InChIKeyWPSJGPTYODLIHP-UHFFFAOYSA-N
XLogP3.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone (CID 3331849) is (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone is CCOc1ccc2nc(C(=O)N3CCN(C4CCCCC4)CC3)sc2c1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone?
The InChIKey is WPSJGPTYODLIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-2-25-16-8-9-17-18(14-16)26-19(21-17)20(24)23-12-10-22(11-13-23)15-6-4-3-5-7-15/h8-9,14-15H,2-7,10-13H2,1H3.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone has a molecular weight of 373.52 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(6-ethoxy-1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 3331849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).