10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile

C22H18N2OS — CID 135065319

IUPAC10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile
SMILESCc1cc(O)c(N2c3ccccc3Sc3ccc(C#N)cc32)c(C)c1C
InChIInChI=1S/C22H18N2OS/c1-13-10-19(25)22(15(3)14(13)2)24-17-6-4-5-7-20(17)26-21-9-8-16(12-23)11-18(21)24/h4-11,25H,1-3H3
InChIKeyUURBSZYOGNKBDU-UHFFFAOYSA-N
MW358.47 g/mol
LogP6.12
Rot. Bonds1

About 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile

10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile (PubChem CID 135065319) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile.

Molecular Properties

Compound Name10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile
PubChem CID135065319
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile
SMILESCc1cc(O)c(N2c3ccccc3Sc3ccc(C#N)cc32)c(C)c1C
InChIInChI=1S/C22H18N2OS/c1-13-10-19(25)22(15(3)14(13)2)24-17-6-4-5-7-20(17)26-21-9-8-16(12-23)11-18(21)24/h4-11,25H,1-3H3
InChIKeyUURBSZYOGNKBDU-UHFFFAOYSA-N
XLogP6.12
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile 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 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile?
The IUPAC name of 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile (CID 135065319) is 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile.
What is the SMILES notation for 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile?
The canonical SMILES for 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile is Cc1cc(O)c(N2c3ccccc3Sc3ccc(C#N)cc32)c(C)c1C.
What is the InChIKey of 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile?
The InChIKey is UURBSZYOGNKBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-13-10-19(25)22(15(3)14(13)2)24-17-6-4-5-7-20(17)26-21-9-8-16(12-23)11-18(21)24/h4-11,25H,1-3H3.
What are the key properties of 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile?
10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile has a molecular weight of 358.47 g/mol, XLogP of 6.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-hydroxy-2,3,4-trimethylphenyl)phenothiazine-2-carbonitrile is sourced from PubChem (CID 135065319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).