2-(10-methylphenothiazin-2-yl)acetic acid

C15H13NO2S — CID 4164

💊View drug profile → metiazinic acid
IUPAC2-(10-methylphenothiazin-2-yl)acetic acid
SMILESCN1c2ccccc2Sc2ccc(CC(=O)O)cc21
InChIInChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLMINNBXUMGNKMM-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.55
Rot. Bonds2

About 2-(10-methylphenothiazin-2-yl)acetic acid

2-(10-methylphenothiazin-2-yl)acetic acid (PubChem CID 4164) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-(10-methylphenothiazin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(10-methylphenothiazin-2-yl)acetic acid
PubChem CID4164
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name2-(10-methylphenothiazin-2-yl)acetic acid
SMILESCN1c2ccccc2Sc2ccc(CC(=O)O)cc21
InChIInChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18)
InChIKeyLMINNBXUMGNKMM-UHFFFAOYSA-N
XLogP3.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5,6-dihydropyridin-1(2H)-yl)propyl)-10H-phenothiazin-2-yl)acetic acid
CID 45269933
2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine
CID 384444
(3-Methyl-2-phenyl-2,3-dihydro-1,3-benzothiazol-5-yl)acetic acid
CID 40314
Protizinic acid hydroxide
CID 3050291
10-[3-(Dimethylamino)propyl]phenothiazine-2-carboxylic acid
CID 44286473
10-ethyl-10H-phenothiazine-4-carboxylic acid
CID 638539
10-Methyl-10H-phenothiazine-3-carboxylic acid
CID 620873
Phenothiazine-2-acetic acid
CID 350920
3,7-Dicarboxy-10-methylphenothiazine
CID 15365784
3-(10'-Phenothiazinyl)propionic acid
CID 21816465
3-(10-Hydroxyphenothiazin-1-yl)propanoic acid
CID 68904468
10-Methyl-10H-phenothiazine-2-carboxylic acid
CID 102421506

Frequently Asked Questions

What is the IUPAC name of 2-(10-methylphenothiazin-2-yl)acetic acid?
The IUPAC name of 2-(10-methylphenothiazin-2-yl)acetic acid (CID 4164) is 2-(10-methylphenothiazin-2-yl)acetic acid.
What is the SMILES notation for 2-(10-methylphenothiazin-2-yl)acetic acid?
The canonical SMILES for 2-(10-methylphenothiazin-2-yl)acetic acid is CN1c2ccccc2Sc2ccc(CC(=O)O)cc21.
What is the InChIKey of 2-(10-methylphenothiazin-2-yl)acetic acid?
The InChIKey is LMINNBXUMGNKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-16-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)16)9-15(17)18/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-(10-methylphenothiazin-2-yl)acetic acid?
2-(10-methylphenothiazin-2-yl)acetic acid has a molecular weight of 271.34 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-methylphenothiazin-2-yl)acetic acid is sourced from PubChem (CID 4164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).