4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol

C21H18N2OS2 — CID 86276223

IUPAC4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol
SMILESCN1CC(O)(c2ccc3c(c2)Nc2ccccc2S3)Sc2ccccc21
InChIInChI=1S/C21H18N2OS2/c1-23-13-21(24,26-20-9-5-3-7-17(20)23)14-10-11-19-16(12-14)22-15-6-2-4-8-18(15)25-19/h2-12,22,24H,13H2,1H3
InChIKeySNMAXXFALXQUCH-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.28
Rot. Bonds1

About 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol

4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol (PubChem CID 86276223) has the molecular formula C21H18N2OS2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol.

Molecular Properties

Compound Name4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol
PubChem CID86276223
Molecular FormulaC21H18N2OS2
Molecular Weight378.52 g/mol
Exact Mass378.09
IUPAC Name4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol
SMILESCN1CC(O)(c2ccc3c(c2)Nc2ccccc2S3)Sc2ccccc21
InChIInChI=1S/C21H18N2OS2/c1-23-13-21(24,26-20-9-5-3-7-17(20)23)14-10-11-19-16(12-14)22-15-6-2-4-8-18(15)25-19/h2-12,22,24H,13H2,1H3
InChIKeySNMAXXFALXQUCH-UHFFFAOYSA-N
XLogP5.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol 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

1-(10H-phenothiazin-2-yl)ethanol
CID 350926
(10H-phenothiazin-2-yl)methanol
CID 67358482
4-methyl-2-(10H-phenothiazin-2-yl)morpholin-2-ol
CID 85469583
3-(10H-phenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol
CID 86276217
4-methyl-2-(10H-phenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol
CID 86276221
2-hydroxy-5-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-thiazine-4-carbaldehyde
CID 90655206
4-methyl-2-(4-phenylphenyl)-3H-1,4-benzothiazin-2-ol
CID 53388789
3-(10-methylphenothiazin-2-yl)-4,6,7,8,9,9a-hexahydro-1H-pyrido[2,1-c][1,4]oxazin-3-ol
CID 86276222
4-Methyl-2-(10-methylphenothiazin-2-yl)morpholin-2-ol
CID 90655200
4-methyl-2-(10-methylphenothiazin-2-yl)-4a,5,6,7,8,8a-hexahydro-3H-benzo[b][1,4]oxazin-2-ol
CID 90655201
4-methyl-2-phenyl-3H-1,4-benzothiazin-2-ol
CID 145951676
Phenothiazine-2-methanol, 10-(3-(dimethylamino)propyl)-alpha-(morpholinomethyl)-
CID 202605

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol?
The IUPAC name of 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol (CID 86276223) is 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol.
What is the SMILES notation for 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol?
The canonical SMILES for 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol is CN1CC(O)(c2ccc3c(c2)Nc2ccccc2S3)Sc2ccccc21.
What is the InChIKey of 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol?
The InChIKey is SNMAXXFALXQUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS2/c1-23-13-21(24,26-20-9-5-3-7-17(20)23)14-10-11-19-16(12-14)22-15-6-2-4-8-18(15)25-19/h2-12,22,24H,13H2,1H3.
What are the key properties of 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol?
4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol has a molecular weight of 378.52 g/mol, XLogP of 5.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(10H-phenothiazin-2-yl)-3H-1,4-benzothiazin-2-ol is sourced from PubChem (CID 86276223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).