2-amino-1-(10H-phenothiazin-2-yl)ethanone

C14H12N2OS — CID 170860269

IUPAC2-amino-1-(10H-phenothiazin-2-yl)ethanone
SMILESNCC(=O)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C14H12N2OS/c15-8-12(17)9-5-6-14-11(7-9)16-10-3-1-2-4-13(10)18-14/h1-7,16H,8,15H2
InChIKeyWKSPWTMSDGIOPP-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.04
Rot. Bonds2

About 2-amino-1-(10H-phenothiazin-2-yl)ethanone

2-amino-1-(10H-phenothiazin-2-yl)ethanone (PubChem CID 170860269) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-amino-1-(10H-phenothiazin-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(10H-phenothiazin-2-yl)ethanone
PubChem CID170860269
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name2-amino-1-(10H-phenothiazin-2-yl)ethanone
SMILESNCC(=O)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C14H12N2OS/c15-8-12(17)9-5-6-14-11(7-9)16-10-3-1-2-4-13(10)18-14/h1-7,16H,8,15H2
InChIKeyWKSPWTMSDGIOPP-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
10H-phenothiazine-3-carboxamide
CID 153418714
6-(2-aminoacetyl)-4H-1,4-benzothiazin-3-one
CID 82494432
(E)-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
CID 139237555
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 9074069
diphenylmethanone;10H-phenothiazine
CID 175143888
ethyl 10H-phenothiazine-3-carboxylate
CID 163320845
N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
CID 87718779
(E)-1-(10H-phenothiazin-2-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 19544559
diaminomethylidene-[1-(10H-phenothiazin-2-yl)ethenylamino]azanium
CID 2340942
1-benzyl-3-hydroxy-3-[2-oxo-2-(10H-phenothiazin-2-yl)ethyl]indol-2-one
CID 12777159
(E)-3-(4-fluoroanilino)-1-(10H-phenothiazin-2-yl)prop-2-en-1-one
CID 172638878

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(10H-phenothiazin-2-yl)ethanone?
The IUPAC name of 2-amino-1-(10H-phenothiazin-2-yl)ethanone (CID 170860269) is 2-amino-1-(10H-phenothiazin-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(10H-phenothiazin-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(10H-phenothiazin-2-yl)ethanone is NCC(=O)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 2-amino-1-(10H-phenothiazin-2-yl)ethanone?
The InChIKey is WKSPWTMSDGIOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c15-8-12(17)9-5-6-14-11(7-9)16-10-3-1-2-4-13(10)18-14/h1-7,16H,8,15H2.
What are the key properties of 2-amino-1-(10H-phenothiazin-2-yl)ethanone?
2-amino-1-(10H-phenothiazin-2-yl)ethanone has a molecular weight of 256.33 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(10H-phenothiazin-2-yl)ethanone is sourced from PubChem (CID 170860269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).