2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

C21H29N3OS — CID 43982615

IUPAC2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C)c2sc(N3CCN(C(=O)CC4CCCCC4)CC3)nc2c1
InChIInChI=1S/C21H29N3OS/c1-15-12-16(2)20-18(13-15)22-21(26-20)24-10-8-23(9-11-24)19(25)14-17-6-4-3-5-7-17/h12-13,17H,3-11,14H2,1-2H3
InChIKeyORVDIILZRHGIHZ-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.53
Rot. Bonds3

About 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone

2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 43982615) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID43982615
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1cc(C)c2sc(N3CCN(C(=O)CC4CCCCC4)CC3)nc2c1
InChIInChI=1S/C21H29N3OS/c1-15-12-16(2)20-18(13-15)22-21(26-20)24-10-8-23(9-11-24)19(25)14-17-6-4-3-5-7-17/h12-13,17H,3-11,14H2,1-2H3
InChIKeyORVDIILZRHGIHZ-UHFFFAOYSA-N
XLogP4.53
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone (CID 43982615) is 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is Cc1cc(C)c2sc(N3CCN(C(=O)CC4CCCCC4)CC3)nc2c1.
What is the InChIKey of 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is ORVDIILZRHGIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-15-12-16(2)20-18(13-15)22-21(26-20)24-10-8-23(9-11-24)19(25)14-17-6-4-3-5-7-17/h12-13,17H,3-11,14H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone?
2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 371.55 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(5,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 43982615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).