2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide

C15H16N2OS — CID 94162766

IUPAC2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide
SMILESCN1c2ccccc2S[C@H]2C=CC(CC(N)=O)=C[C@@H]21
InChIInChI=1S/C15H16N2OS/c1-17-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)17)9-15(16)18/h2-8,12,14H,9H2,1H3,(H2,16,18)/t12-,14-/m0/s1
InChIKeyGWRSFAVGQQCELY-JSGCOSHPSA-N
MW272.37 g/mol
LogP2.34
Rot. Bonds2

About 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide

2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide (PubChem CID 94162766) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide
PubChem CID94162766
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide
SMILESCN1c2ccccc2S[C@H]2C=CC(CC(N)=O)=C[C@@H]21
InChIInChI=1S/C15H16N2OS/c1-17-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)17)9-15(16)18/h2-8,12,14H,9H2,1H3,(H2,16,18)/t12-,14-/m0/s1
InChIKeyGWRSFAVGQQCELY-JSGCOSHPSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4aR,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]ethyl]isoindole-1,3-dione
CID 94162780
ethyl 2-chloro-4a,10a-dihydrophenothiazine-10-carboxylate
CID 24947858
3-methyl-2H-1,3-benzothiazole-2-carboxamide;hydrochloride
CID 175255836
3-(4a,10a-dihydrophenothiazin-10-yl)propanoic acid
CID 59928109
3-methyl-2-[(3-methyl-2H-1,3-benzothiazol-2-yl)sulfonyl]-2H-1,3-benzothiazole
CID 174831348
ethyl N-[(4aR,10aR)-10-(3-chloropropanoyl)-4a,10a-dihydrophenothiazin-2-yl]carbamate
CID 51643935
ethyl N-[(4aS,10aS)-10-(3-chloropropanoyl)-4a,10a-dihydrophenothiazin-2-yl]carbamate
CID 51643934
4-(3-methyl-2H-1,3-benzothiazol-2-yl)butan-2-one
CID 14360336
1-[(4aS,10aS)-4a,10a-dihydrophenothiazin-10-yl]-2-chloroethanone
CID 736382
3-methyl-2-methylsulfonyl-2H-1,3-benzothiazole
CID 141122930
bis(but-2-enedioic acid);10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-4a,10a-dihydrophenothiazine
CID 134688224
2-(3aH-imidazo[2,1-b][1,3]benzothiazol-3-yl)acetamide
CID 67880385

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide?
The IUPAC name of 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide (CID 94162766) is 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide.
What is the SMILES notation for 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide?
The canonical SMILES for 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide is CN1c2ccccc2S[C@H]2C=CC(CC(N)=O)=C[C@@H]21.
What is the InChIKey of 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide?
The InChIKey is GWRSFAVGQQCELY-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-17-11-4-2-3-5-13(11)19-14-7-6-10(8-12(14)17)9-15(16)18/h2-8,12,14H,9H2,1H3,(H2,16,18)/t12-,14-/m0/s1.
What are the key properties of 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide?
2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide has a molecular weight of 272.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,10aS)-10-methyl-4a,10a-dihydrophenothiazin-2-yl]acetamide is sourced from PubChem (CID 94162766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).