[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone

C15H17N3OS — CID 647620

IUPAC[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H17N3OS/c19-14(11-5-6-11)17-7-9-18(10-8-17)15-16-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2
InChIKeyGRVAHMOZXORQJO-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.35
Rot. Bonds2

About [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone

[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone (PubChem CID 647620) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
PubChem CID647620
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C15H17N3OS/c19-14(11-5-6-11)17-7-9-18(10-8-17)15-16-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2
InChIKeyGRVAHMOZXORQJO-UHFFFAOYSA-N
XLogP2.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone (CID 647620) is [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
The InChIKey is GRVAHMOZXORQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(11-5-6-11)17-7-9-18(10-8-17)15-16-12-3-1-2-4-13(12)20-15/h1-4,11H,5-10H2.
What are the key properties of [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone?
[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone has a molecular weight of 287.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 647620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).