N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide

C16H15N3OS — CID 9074069

IUPACN-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
SMILESCC(=O)N/N=C(/C)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C16H15N3OS/c1-10(18-19-11(2)20)12-7-8-16-14(9-12)17-13-5-3-4-6-15(13)21-16/h3-9,17H,1-2H3,(H,19,20)/b18-10-
InChIKeyGKIXWOXMNQVMBS-ZDLGFXPLSA-N
MW297.38 g/mol
LogP3.75
Rot. Bonds2

About N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide

N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide (PubChem CID 9074069) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
PubChem CID9074069
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
SMILESCC(=O)N/N=C(/C)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C16H15N3OS/c1-10(18-19-11(2)20)12-7-8-16-14(9-12)17-13-5-3-4-6-15(13)21-16/h3-9,17H,1-2H3,(H,19,20)/b18-10-
InChIKeyGKIXWOXMNQVMBS-ZDLGFXPLSA-N
XLogP3.75
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]thiourea
CID 7955538
2-(2-methyl-1,3-thiazol-4-yl)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 78583999
2-(2-fluorophenoxy)-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide
CID 5107147
4,6-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]pyrimidin-2-amine
CID 5199105
N-ethoxy-1-(10H-phenothiazin-2-yl)ethanimine
CID 87718779
2,4-dimethyl-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]aniline
CID 3606847
N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4101625
N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 134814002
10H-phenothiazine-2-carboxylic acid;hydrochloride
CID 142625462
4-[(2-oxobenzo[cd]indol-1-yl)methyl]-N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]benzamide
CID 6066360
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]phthalazin-1-amine
CID 6418691
2,6-dinitro-N-[1-(10H-phenothiazin-2-yl)ethylideneamino]-4-(trifluoromethyl)aniline
CID 4598117

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The IUPAC name of N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide (CID 9074069) is N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The canonical SMILES for N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide is CC(=O)N/N=C(/C)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
The InChIKey is GKIXWOXMNQVMBS-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10(18-19-11(2)20)12-7-8-16-14(9-12)17-13-5-3-4-6-15(13)21-16/h3-9,17H,1-2H3,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide?
N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide has a molecular weight of 297.38 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(10H-phenothiazin-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 9074069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).