2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine

C16H12N2S2 — CID 12669864

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine
SMILESCc1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1
InChIInChI=1S/C16H12N2S2/c1-10-17-14(9-19-10)11-6-7-16-13(8-11)18-12-4-2-3-5-15(12)20-16/h2-9,18H,1H3
InChIKeyBAWWZGCEQJWILE-UHFFFAOYSA-N
MW296.42 g/mol
LogP5.33
Rot. Bonds1

About 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine

2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine (PubChem CID 12669864) has the molecular formula C16H12N2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine
PubChem CID12669864
Molecular FormulaC16H12N2S2
Molecular Weight296.42 g/mol
Exact Mass296.04
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine
SMILESCc1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1
InChIInChI=1S/C16H12N2S2/c1-10-17-14(9-19-10)11-6-7-16-13(8-11)18-12-4-2-3-5-15(12)20-16/h2-9,18H,1H3
InChIKeyBAWWZGCEQJWILE-UHFFFAOYSA-N
XLogP5.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 737888
3-(2-Phenyl-thiazol-4-yl)-phenylamine
CID 737901
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
3-(4-Methyl-1,3-thiazol-2-yl)aniline
CID 7148568
4-((2-Phenylthiazol-4-yl)methylthio)benzenamine
CID 24948932
2-((2-Phenylthiazol-4-yl)methylthio)benzenamine
CID 24951025
1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-(thiolan-3-yl)piperidin-4-amine
CID 45189824
6-[2-(3-methylsulfanylanilino)-1,3-thiazol-4-yl]-4H-1,4-benzothiazin-3-one
CID 122183955
2-(1-(2-(4-(4-Fluorophenyl)thiazol-2-yl)hydrazono)ethyl)-10h-phenothiazine
CID 134814050
2-Methyl-4-(((4-methylquinolin-2-yl)thio)methyl)thiazole
CID 852228
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]aniline
CID 2359903

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine (CID 12669864) is 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine is Cc1nc(-c2ccc3c(c2)Nc2ccccc2S3)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine?
The InChIKey is BAWWZGCEQJWILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2S2/c1-10-17-14(9-19-10)11-6-7-16-13(8-11)18-12-4-2-3-5-15(12)20-16/h2-9,18H,1H3.
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine?
2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine has a molecular weight of 296.42 g/mol, XLogP of 5.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-10H-phenothiazine is sourced from PubChem (CID 12669864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).