1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone

C24H21N3O2S — CID 10047477

IUPAC1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(C(=O)CN/N=C/c1ccccc1C)c1ccccc1S2
InChIInChI=1S/C24H21N3O2S/c1-16-7-3-4-8-19(16)14-25-26-15-24(29)27-20-9-5-6-10-22(20)30-23-12-11-18(17(2)28)13-21(23)27/h3-14,26H,15H2,1-2H3/b25-14+
InChIKeyDSWYHFIEMOSJIX-AFUMVMLFSA-N
MW415.52 g/mol
LogP4.95
Rot. Bonds5

About 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone

1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone (PubChem CID 10047477) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone.

Molecular Properties

Compound Name1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone
PubChem CID10047477
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC Name1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(C(=O)CN/N=C/c1ccccc1C)c1ccccc1S2
InChIInChI=1S/C24H21N3O2S/c1-16-7-3-4-8-19(16)14-25-26-15-24(29)27-20-9-5-6-10-22(20)30-23-12-11-18(17(2)28)13-21(23)27/h3-14,26H,15H2,1-2H3/b25-14+
InChIKeyDSWYHFIEMOSJIX-AFUMVMLFSA-N
XLogP4.95
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 4-[(E)-[[2-(2-acetylphenothiazin-10-yl)-2-oxoethyl]hydrazinylidene]methyl]benzoate
CID 24835018
2-acetyl-N-phenylphenothiazine-10-carboxamide
CID 4153875
2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
CID 6509956
3-[[2-(2-acetylphenothiazin-10-yl)-2-oxoethyl]amino]-2-(2,4-dichlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 10007919
1-(2-acetylphenothiazin-10-yl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 69448986
1-(12,13-dimethyl-2,9-dithia-16-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10(15),11,13,17,19-nonaen-16-yl)ethanone
CID 11794003
3-amino-1-(2-chlorophenothiazin-10-yl)propan-1-one;hydrochloride
CID 24747135
(3-chloro-4-methylphenyl)-(2-chlorophenothiazin-10-yl)methanone
CID 91689668
1-(4-phenothiazin-10-ylphenyl)ethanone
CID 86206499
1-[10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-yl]ethanone
CID 71312308
1-(2-chlorophenothiazin-10-yl)-2-(dimethylamino)ethanone
CID 709851
2-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
CID 20788204

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone?
The IUPAC name of 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone (CID 10047477) is 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone.
What is the SMILES notation for 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone?
The canonical SMILES for 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone is CC(=O)c1ccc2c(c1)N(C(=O)CN/N=C/c1ccccc1C)c1ccccc1S2.
What is the InChIKey of 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone?
The InChIKey is DSWYHFIEMOSJIX-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-16-7-3-4-8-19(16)14-25-26-15-24(29)27-20-9-5-6-10-22(20)30-23-12-11-18(17(2)28)13-21(23)27/h3-14,26H,15H2,1-2H3/b25-14+.
What are the key properties of 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone?
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone has a molecular weight of 415.52 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone is sourced from PubChem (CID 10047477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).