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

C19H14N2OS — CID 141187611

IUPAC(2-amino-10H-phenothiazin-1-yl)-phenylmethanone
SMILESNc1ccc2c(c1C(=O)c1ccccc1)Nc1ccccc1S2
InChIInChI=1S/C19H14N2OS/c20-13-10-11-16-18(21-14-8-4-5-9-15(14)23-16)17(13)19(22)12-6-2-1-3-7-12/h1-11,21H,20H2
InChIKeyWFBNJBGQKDCQOF-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.71
Rot. Bonds2

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

(2-amino-10H-phenothiazin-1-yl)-phenylmethanone (PubChem CID 141187611) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is (2-amino-10H-phenothiazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-10H-phenothiazin-1-yl)-phenylmethanone
PubChem CID141187611
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name(2-amino-10H-phenothiazin-1-yl)-phenylmethanone
SMILESNc1ccc2c(c1C(=O)c1ccccc1)Nc1ccccc1S2
InChIInChI=1S/C19H14N2OS/c20-13-10-11-16-18(21-14-8-4-5-9-15(14)23-16)17(13)19(22)12-6-2-1-3-7-12/h1-11,21H,20H2
InChIKeyWFBNJBGQKDCQOF-UHFFFAOYSA-N
XLogP4.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

diphenylmethanone;10H-phenothiazine
CID 175143888
10H-phenothiazine-1,2-diol
CID 19596784
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
10H-phenothiazine;1-phenylethenylbenzene
CID 174552079
10H-phenothiazine-1-carbaldehyde
CID 12553558
copper;10H-phenothiazin-1-yl acetate
CID 70290846
1-(10H-phenothiazin-1-yl)-3-phenylurea
CID 139973448
2-amino-1-(10H-phenothiazin-2-yl)ethanone
CID 170860269
10H-phenothiazine-3-carboxamide
CID 153418714
1,2-diphenyl-10H-phenothiazine
CID 91018279
(2,4-diamino-3-benzoylphenyl)-phenylmethanone
CID 70481575
boric acid;10H-phenothiazine
CID 159987394

Frequently Asked Questions

What is the IUPAC name of (2-amino-10H-phenothiazin-1-yl)-phenylmethanone?
The IUPAC name of (2-amino-10H-phenothiazin-1-yl)-phenylmethanone (CID 141187611) is (2-amino-10H-phenothiazin-1-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-10H-phenothiazin-1-yl)-phenylmethanone?
The canonical SMILES for (2-amino-10H-phenothiazin-1-yl)-phenylmethanone is Nc1ccc2c(c1C(=O)c1ccccc1)Nc1ccccc1S2.
What is the InChIKey of (2-amino-10H-phenothiazin-1-yl)-phenylmethanone?
The InChIKey is WFBNJBGQKDCQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c20-13-10-11-16-18(21-14-8-4-5-9-15(14)23-16)17(13)19(22)12-6-2-1-3-7-12/h1-11,21H,20H2.
What are the key properties of (2-amino-10H-phenothiazin-1-yl)-phenylmethanone?
(2-amino-10H-phenothiazin-1-yl)-phenylmethanone has a molecular weight of 318.40 g/mol, XLogP of 4.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-10H-phenothiazin-1-yl)-phenylmethanone is sourced from PubChem (CID 141187611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).