[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone

C25H25N3OS — CID 23102337

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
SMILESCc1ccc(C)c(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1
InChIInChI=1S/C25H25N3OS/c1-18-11-12-19(2)22(17-18)26-13-15-27(16-14-26)25(29)28-20-7-3-5-9-23(20)30-24-10-6-4-8-21(24)28/h3-12,17H,13-16H2,1-2H3
InChIKeyULYCUAZVSJTQJF-UHFFFAOYSA-N
MW415.56 g/mol
LogP5.85
Rot. Bonds1

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone (PubChem CID 23102337) has the molecular formula C25H25N3OS and a molecular weight of 415.56 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
PubChem CID23102337
Molecular FormulaC25H25N3OS
Molecular Weight415.56 g/mol
Exact Mass415.17
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
SMILESCc1ccc(C)c(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1
InChIInChI=1S/C25H25N3OS/c1-18-11-12-19(2)22(17-18)26-13-15-27(16-14-26)25(29)28-20-7-3-5-9-23(20)30-24-10-6-4-8-21(24)28/h3-12,17H,13-16H2,1-2H3
InChIKeyULYCUAZVSJTQJF-UHFFFAOYSA-N
XLogP5.85
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.56
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone
CID 1313122
[4-(4-methoxyphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 982285
(4-methylpiperidin-1-yl)-phenothiazin-10-ylmethanone
CID 714968
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-1-[4-(2,5-dimethylphenyl)piperazin-1-yl]butan-1-one
CID 20932168
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
(2Z)-4-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2-[(2-fluorophenyl)methylidene]-1,4-benzothiazin-3-one
CID 6262522
(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone
CID 7368449
(2Z)-4-[(2,5-dimethylphenyl)methyl]-2-[[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl]methylidene]-1,4-benzothiazin-3-one
CID 46258840
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
6-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylphenyl)-1,4-dihydropyridazin-3-one
CID 2008524
2-[4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-4H-1,4-benzothiazin-3-one
CID 46390643

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone (CID 23102337) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone is Cc1ccc(C)c(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone?
The InChIKey is ULYCUAZVSJTQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3OS/c1-18-11-12-19(2)22(17-18)26-13-15-27(16-14-26)25(29)28-20-7-3-5-9-23(20)30-24-10-6-4-8-21(24)28/h3-12,17H,13-16H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone has a molecular weight of 415.56 g/mol, XLogP of 5.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone is sourced from PubChem (CID 23102337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).