cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

C17H21N3OS — CID 7292551

IUPACcyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1ccc2nc(N3CCN(C(=O)C4CC4)CC3)sc2c1
InChIInChI=1S/C17H21N3OS/c1-2-12-3-6-14-15(11-12)22-17(18-14)20-9-7-19(8-10-20)16(21)13-4-5-13/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyYNXCFLKXNCYENS-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.92
Rot. Bonds3

About cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 7292551) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
PubChem CID7292551
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Namecyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
SMILESCCc1ccc2nc(N3CCN(C(=O)C4CC4)CC3)sc2c1
InChIInChI=1S/C17H21N3OS/c1-2-12-3-6-14-15(11-12)22-17(18-14)20-9-7-19(8-10-20)16(21)13-4-5-13/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyYNXCFLKXNCYENS-UHFFFAOYSA-N
XLogP2.92
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone (CID 7292551) is cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is CCc1ccc2nc(N3CCN(C(=O)C4CC4)CC3)sc2c1.
What is the InChIKey of cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is YNXCFLKXNCYENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-2-12-3-6-14-15(11-12)22-17(18-14)20-9-7-19(8-10-20)16(21)13-4-5-13/h3,6,11,13H,2,4-5,7-10H2,1H3.
What are the key properties of cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 315.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).