[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

C25H23N3O2S — CID 41116057

IUPAC[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1cccc2sc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc12
InChIInChI=1S/C25H23N3O2S/c1-30-21-8-5-9-22-23(21)26-25(31-22)28-16-14-27(15-17-28)24(29)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-17H2,1H3
InChIKeyZUMGWYGEQHPJME-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.93
Rot. Bonds4

About [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 41116057) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID41116057
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESCOc1cccc2sc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc12
InChIInChI=1S/C25H23N3O2S/c1-30-21-8-5-9-22-23(21)26-25(31-22)28-16-14-27(15-17-28)24(29)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-17H2,1H3
InChIKeyZUMGWYGEQHPJME-UHFFFAOYSA-N
XLogP4.93
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Related Compounds

[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172903478
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539422
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-pentoxyphenyl)methanone
CID 41116108
4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]-N,N-bis(prop-2-enyl)benzenesulfonamide
CID 41116102
N-benzyl-N-ethyl-4-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide
CID 43981833
[4-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 41027453
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 41116231
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7539499
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-propan-2-ylsulfanylphenyl)methanone
CID 41147227
(3,4-dimethoxyphenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539236
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 7539432
cyclopropyl-[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7539384

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 41116057) is [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is COc1cccc2sc(N3CCN(C(=O)c4ccc(-c5ccccc5)cc4)CC3)nc12.
What is the InChIKey of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is ZUMGWYGEQHPJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-30-21-8-5-9-22-23(21)26-25(31-22)28-16-14-27(15-17-28)24(29)20-12-10-19(11-13-20)18-6-3-2-4-7-18/h2-13H,14-17H2,1H3.
What are the key properties of [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 429.55 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 41116057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).