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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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).