2-cyano-N-(10H-phenothiazin-3-yl)acetamide

C15H11N3OS — CID 172645707

IUPAC2-cyano-N-(10H-phenothiazin-3-yl)acetamide
SMILESN#CCC(=O)Nc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C15H11N3OS/c16-8-7-15(19)17-10-5-6-12-14(9-10)20-13-4-2-1-3-11(13)18-12/h1-6,9,18H,7H2,(H,17,19)
InChIKeyWKMSUGRSLZRLFY-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.75
Rot. Bonds2

About 2-cyano-N-(10H-phenothiazin-3-yl)acetamide

2-cyano-N-(10H-phenothiazin-3-yl)acetamide (PubChem CID 172645707) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-cyano-N-(10H-phenothiazin-3-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(10H-phenothiazin-3-yl)acetamide
PubChem CID172645707
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-cyano-N-(10H-phenothiazin-3-yl)acetamide
SMILESN#CCC(=O)Nc1ccc2c(c1)Sc1ccccc1N2
InChIInChI=1S/C15H11N3OS/c16-8-7-15(19)17-10-5-6-12-14(9-10)20-13-4-2-1-3-11(13)18-12/h1-6,9,18H,7H2,(H,17,19)
InChIKeyWKMSUGRSLZRLFY-UHFFFAOYSA-N
XLogP3.75
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(10H-phenothiazin-3-yl)carbamate
CID 15556094
methanethiol;N-(10H-phenothiazin-3-yl)hydroxylamine;hydrate
CID 171100441
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
(E)-5-(2-hydroxyphenyl)-N-[7-[[(E)-5-(2-hydroxyphenyl)-3-oxopent-4-enoyl]amino]-10H-phenothiazin-3-yl]-3-oxopent-4-enamide
CID 10995630
2-[6-amino-5-cyano-4-(2-hydroxyphenyl)-2-pyridinyl]-N-[7-[[2-[6-amino-5-cyano-4-(2-hydroxyphenyl)-2-pyridinyl]acetyl]amino]-10H-phenothiazin-3-yl]acetamide
CID 135512841
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-(2H-benzotriazol-5-yl)-2-cyanoacetamide
CID 168520627
2-cyano-N-[4-(2-phenylethyl)phenyl]acetamide;ethane
CID 145019649
4-[(2-cyanoacetyl)amino]-N-phenylbenzamide
CID 138994514
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
diphenylmethanone;10H-phenothiazine
CID 175143888

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(10H-phenothiazin-3-yl)acetamide?
The IUPAC name of 2-cyano-N-(10H-phenothiazin-3-yl)acetamide (CID 172645707) is 2-cyano-N-(10H-phenothiazin-3-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(10H-phenothiazin-3-yl)acetamide?
The canonical SMILES for 2-cyano-N-(10H-phenothiazin-3-yl)acetamide is N#CCC(=O)Nc1ccc2c(c1)Sc1ccccc1N2.
What is the InChIKey of 2-cyano-N-(10H-phenothiazin-3-yl)acetamide?
The InChIKey is WKMSUGRSLZRLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c16-8-7-15(19)17-10-5-6-12-14(9-10)20-13-4-2-1-3-11(13)18-12/h1-6,9,18H,7H2,(H,17,19).
What are the key properties of 2-cyano-N-(10H-phenothiazin-3-yl)acetamide?
2-cyano-N-(10H-phenothiazin-3-yl)acetamide has a molecular weight of 281.34 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 2-cyano-N-(10H-phenothiazin-3-yl)acetamide is sourced from PubChem (CID 172645707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).