N-(10-methylphenothiazin-3-yl)prop-2-enamide

C16H14N2OS — CID 44825228

IUPACN-(10-methylphenothiazin-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)Sc1ccccc1N2C
InChIInChI=1S/C16H14N2OS/c1-3-16(19)17-11-8-9-13-15(10-11)20-14-7-5-4-6-12(14)18(13)2/h3-10H,1H2,2H3,(H,17,19)
InChIKeyGAZRTEPDMCXODM-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.04
Rot. Bonds2

About N-(10-methylphenothiazin-3-yl)prop-2-enamide

N-(10-methylphenothiazin-3-yl)prop-2-enamide (PubChem CID 44825228) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(10-methylphenothiazin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(10-methylphenothiazin-3-yl)prop-2-enamide
PubChem CID44825228
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(10-methylphenothiazin-3-yl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(c1)Sc1ccccc1N2C
InChIInChI=1S/C16H14N2OS/c1-3-16(19)17-11-8-9-13-15(10-11)20-14-7-5-4-6-12(14)18(13)2/h3-10H,1H2,2H3,(H,17,19)
InChIKeyGAZRTEPDMCXODM-UHFFFAOYSA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(10-methylphenothiazin-3-yl)prop-2-enamide?
The IUPAC name of N-(10-methylphenothiazin-3-yl)prop-2-enamide (CID 44825228) is N-(10-methylphenothiazin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(10-methylphenothiazin-3-yl)prop-2-enamide?
The canonical SMILES for N-(10-methylphenothiazin-3-yl)prop-2-enamide is C=CC(=O)Nc1ccc2c(c1)Sc1ccccc1N2C.
What is the InChIKey of N-(10-methylphenothiazin-3-yl)prop-2-enamide?
The InChIKey is GAZRTEPDMCXODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-3-16(19)17-11-8-9-13-15(10-11)20-14-7-5-4-6-12(14)18(13)2/h3-10H,1H2,2H3,(H,17,19).
What are the key properties of N-(10-methylphenothiazin-3-yl)prop-2-enamide?
N-(10-methylphenothiazin-3-yl)prop-2-enamide has a molecular weight of 282.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-methylphenothiazin-3-yl)prop-2-enamide is sourced from PubChem (CID 44825228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).