3-(2-chlorophenothiazin-10-yl)prop-2-enamide

C15H11ClN2OS — CID 169083351

IUPAC3-(2-chlorophenothiazin-10-yl)prop-2-enamide
SMILESNC(=O)C=CN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2OS/c16-10-5-6-14-12(9-10)18(8-7-15(17)19)11-3-1-2-4-13(11)20-14/h1-9H,(H2,17,19)
InChIKeyOCRYCWKSKLLGRR-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.94
Rot. Bonds2

About 3-(2-chlorophenothiazin-10-yl)prop-2-enamide

3-(2-chlorophenothiazin-10-yl)prop-2-enamide (PubChem CID 169083351) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 3-(2-chlorophenothiazin-10-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenothiazin-10-yl)prop-2-enamide
PubChem CID169083351
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name3-(2-chlorophenothiazin-10-yl)prop-2-enamide
SMILESNC(=O)C=CN1c2ccccc2Sc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2OS/c16-10-5-6-14-12(9-10)18(8-7-15(17)19)11-3-1-2-4-13(11)20-14/h1-9H,(H2,17,19)
InChIKeyOCRYCWKSKLLGRR-UHFFFAOYSA-N
XLogP3.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.94
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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Related Compounds

3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
2-(2-chlorophenothiazin-10-yl)ethanamine
CID 71258304
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
[4-(2-chlorophenothiazin-10-yl)phenyl]-phenylmethanone
CID 168665191
4-(2-chlorophenothiazin-10-yl)-4-oxo-N-phenylbutanamide
CID 102095506
phenothiazine-10-carbaldehyde
CID 11138870
1-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8557064
10-(benzenesulfonyl)-2-chlorophenothiazine
CID 1380786
N-[(E)-benzylideneamino]-2-chlorophenothiazine-10-carboxamide
CID 14027132
2-azido-1-(2-chlorophenothiazin-10-yl)ethanone
CID 86728072
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
2-chloro-10-[(3-methylphenyl)methyl]phenothiazine
CID 132591419

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenothiazin-10-yl)prop-2-enamide?
The IUPAC name of 3-(2-chlorophenothiazin-10-yl)prop-2-enamide (CID 169083351) is 3-(2-chlorophenothiazin-10-yl)prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenothiazin-10-yl)prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenothiazin-10-yl)prop-2-enamide is NC(=O)C=CN1c2ccccc2Sc2ccc(Cl)cc21.
What is the InChIKey of 3-(2-chlorophenothiazin-10-yl)prop-2-enamide?
The InChIKey is OCRYCWKSKLLGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-10-5-6-14-12(9-10)18(8-7-15(17)19)11-3-1-2-4-13(11)20-14/h1-9H,(H2,17,19).
What are the key properties of 3-(2-chlorophenothiazin-10-yl)prop-2-enamide?
3-(2-chlorophenothiazin-10-yl)prop-2-enamide has a molecular weight of 302.79 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenothiazin-10-yl)prop-2-enamide is sourced from PubChem (CID 169083351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).