1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone

C22H24N2O2S — CID 16857536

IUPAC1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C
InChIInChI=1S/C22H24N2O2S/c1-15-13-16(7-8-19(15)26-2)14-21(25)24-11-9-17(10-12-24)22-23-18-5-3-4-6-20(18)27-22/h3-8,13,17H,9-12,14H2,1-2H3
InChIKeyCCTMCOJKBNAWMI-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.56
Rot. Bonds4

About 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone

1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone (PubChem CID 16857536) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
PubChem CID16857536
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C
InChIInChI=1S/C22H24N2O2S/c1-15-13-16(7-8-19(15)26-2)14-21(25)24-11-9-17(10-12-24)22-23-18-5-3-4-6-20(18)27-22/h3-8,13,17H,9-12,14H2,1-2H3
InChIKeyCCTMCOJKBNAWMI-UHFFFAOYSA-N
XLogP4.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone 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 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone (CID 16857536) is 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone is COc1ccc(CC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1C.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone?
The InChIKey is CCTMCOJKBNAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-15-13-16(7-8-19(15)26-2)14-21(25)24-11-9-17(10-12-24)22-23-18-5-3-4-6-20(18)27-22/h3-8,13,17H,9-12,14H2,1-2H3.
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone?
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone has a molecular weight of 380.51 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 16857536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).