2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone

C24H23N3O3S — CID 6509956

IUPAC2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
SMILESCOc1ccc(/C(C)=N\NCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC
InChIInChI=1S/C24H23N3O3S/c1-16(17-12-13-20(29-2)21(14-17)30-3)26-25-15-24(28)27-18-8-4-6-10-22(18)31-23-11-7-5-9-19(23)27/h4-14,25H,15H2,1-3H3/b26-16-
InChIKeyFFQMDWABSRJJAR-QQXSKIMKSA-N
MW433.53 g/mol
LogP4.85
Rot. Bonds6

About 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone

2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone (PubChem CID 6509956) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
PubChem CID6509956
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone
SMILESCOc1ccc(/C(C)=N\NCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC
InChIInChI=1S/C24H23N3O3S/c1-16(17-12-13-20(29-2)21(14-17)30-3)26-25-15-24(28)27-18-8-4-6-10-22(18)31-23-11-7-5-9-19(23)27/h4-14,25H,15H2,1-3H3/b26-16-
InChIKeyFFQMDWABSRJJAR-QQXSKIMKSA-N
XLogP4.85
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,5-dimethoxyanilino)-1-phenothiazin-10-ylethanone
CID 20788204
1-(2-acetylphenothiazin-10-yl)-2-[(2E)-2-[(2-methylphenyl)methylidene]hydrazinyl]ethanone
CID 10047477
N'-(3-iodo-4-methoxybenzoyl)phenothiazine-10-carbohydrazide
CID 4928295
3,4-dimethoxy-N-[4-(1-oxo-1-phenothiazin-10-ylpropan-2-yl)sulfanylphenyl]benzamide
CID 21169132
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
N,N'-bis[1-(3,4-dimethoxyphenyl)ethylideneamino]octanediamide
CID 5058567
1-(2-acetylphenothiazin-10-yl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 69448986
2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9016230
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037
(3-chloro-4-ethoxyphenyl)-phenothiazin-10-ylmethanone
CID 71517523

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone (CID 6509956) is 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone is COc1ccc(/C(C)=N\NCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC.
What is the InChIKey of 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone?
The InChIKey is FFQMDWABSRJJAR-QQXSKIMKSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-16(17-12-13-20(29-2)21(14-17)30-3)26-25-15-24(28)27-18-8-4-6-10-22(18)31-23-11-7-5-9-19(23)27/h4-14,25H,15H2,1-3H3/b26-16-.
What are the key properties of 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone?
2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone has a molecular weight of 433.53 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[1-(3,4-dimethoxyphenyl)ethylidene]hydrazinyl]-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 6509956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).