3-methyl-7-methylidenephenothiazine

C14H11NS — CID 21023278

IUPAC3-methyl-7-methylidenephenothiazine
SMILESC=c1ccc2c(c1)Sc1cc(C)ccc1N=2
InChIInChI=1S/C14H11NS/c1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h3-8H,1H2,2H3
InChIKeyIILZZIDOAAXOHQ-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.82
Rot. Bonds

About 3-methyl-7-methylidenephenothiazine

3-methyl-7-methylidenephenothiazine (PubChem CID 21023278) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-methyl-7-methylidenephenothiazine.

Molecular Properties

Compound Name3-methyl-7-methylidenephenothiazine
PubChem CID21023278
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name3-methyl-7-methylidenephenothiazine
SMILESC=c1ccc2c(c1)Sc1cc(C)ccc1N=2
InChIInChI=1S/C14H11NS/c1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h3-8H,1H2,2H3
InChIKeyIILZZIDOAAXOHQ-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-1,4-Benzothiazine, 3-phenyl-
CID 415876
[4-[7-(4-Aminophenyl)phenothiazin-3-ylidene]cyclohexa-2,5-dien-1-ylidene]azanium iodide
CID 145988503
3-Trifluoromethyl-7-phenothiazone
CID 620167
1,7-Dimethyl-phenothiazone
CID 369389
2H-1,4-Benzothiazine, 3-(4-methylphenyl)-
CID 11413760
3-(4-fluorophenyl)-2H-1,4-benzothiazine
CID 44568430
1H-Phenothiazine
CID 15607651
3H-phenothiazine
CID 16019990
4aH-Phenothiazine
CID 16019991
7-Methylphenothiazin-3-one
CID 20202082
9-Methyl-3H-phenothiazin-3-one
CID 71361141
2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 369428

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-methylidenephenothiazine?
The IUPAC name of 3-methyl-7-methylidenephenothiazine (CID 21023278) is 3-methyl-7-methylidenephenothiazine.
What is the SMILES notation for 3-methyl-7-methylidenephenothiazine?
The canonical SMILES for 3-methyl-7-methylidenephenothiazine is C=c1ccc2c(c1)Sc1cc(C)ccc1N=2.
What is the InChIKey of 3-methyl-7-methylidenephenothiazine?
The InChIKey is IILZZIDOAAXOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-9-3-5-11-13(7-9)16-14-8-10(2)4-6-12(14)15-11/h3-8H,1H2,2H3.
What are the key properties of 3-methyl-7-methylidenephenothiazine?
3-methyl-7-methylidenephenothiazine has a molecular weight of 225.32 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-methylidenephenothiazine is sourced from PubChem (CID 21023278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).