N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide

C19H20N4S2 — CID 59280767

IUPACN-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/C/C=N/N(C)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C19H20N4S2/c1-22(18(24)16-10-5-3-6-11-16)20-14-9-15-21-23(2)19(25)17-12-7-4-8-13-17/h3-8,10-15H,9H2,1-2H3/b20-14+,21-15+
InChIKeyBUCOQRRPZPJQIN-OZNQKUEASA-N
MW368.53 g/mol
LogP3.96
Rot. Bonds6

About N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide

N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide (PubChem CID 59280767) has the molecular formula C19H20N4S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide.

Molecular Properties

Compound NameN-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide
PubChem CID59280767
Molecular FormulaC19H20N4S2
Molecular Weight368.53 g/mol
Exact Mass368.11
IUPAC NameN-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide
SMILESCN(/N=C/C/C=N/N(C)C(=S)c1ccccc1)C(=S)c1ccccc1
InChIInChI=1S/C19H20N4S2/c1-22(18(24)16-10-5-3-6-11-16)20-14-9-15-21-23(2)19(25)17-12-7-4-8-13-17/h3-8,10-15H,9H2,1-2H3/b20-14+,21-15+
InChIKeyBUCOQRRPZPJQIN-OZNQKUEASA-N
XLogP3.96
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]phenyl]methylideneamino]-N-methylbenzenecarbothioamide
CID 74372775
N-[(E)-[2-[(E)-[benzenecarbonothioyl(methyl)hydrazinylidene]methyl]-1,3-dithian-2-yl]methylideneamino]-N-methylbenzenecarbothioamide
CID 59280770
disodium;N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate
CID 72994509
(1Z,3Z)-N'-(benzenecarbonothioyl)-N,N'-dimethyl-N-(1-phenylethenyl)propanedihydrazonate
CID 172971151
(2E)-2-(dimethylhydrazinylidene)-1-phenylethanethione
CID 15938151
N-(benzenecarbonothioyl)-N-[2-[bis(benzenecarbonothioyl)amino]ethyl]benzenecarbothioamide
CID 88799904
1-(benzenecarbonothioyl)-3,3-diethyl-1-methylurea
CID 13184586
(2Z)-N,N-dimethyl-2-phenyl-2-(phenylhydrazinylidene)ethanethioamide
CID 14933594
N,N-dibutylbenzenecarbothioamide
CID 12716080
O-[2-(dimethylamino)ethyl] benzenecarbothioate
CID 28187
3-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-1-N'-(1-phenylethenyl)propanedihydrazide
CID 143634327
2-(dimethylamino)-1-phenylprop-2-ene-1-thione
CID 88692044

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide?
The IUPAC name of N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide (CID 59280767) is N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide.
What is the SMILES notation for N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide?
The canonical SMILES for N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide is CN(/N=C/C/C=N/N(C)C(=S)c1ccccc1)C(=S)c1ccccc1.
What is the InChIKey of N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide?
The InChIKey is BUCOQRRPZPJQIN-OZNQKUEASA-N. The full InChI is InChI=1S/C19H20N4S2/c1-22(18(24)16-10-5-3-6-11-16)20-14-9-15-21-23(2)19(25)17-12-7-4-8-13-17/h3-8,10-15H,9H2,1-2H3/b20-14+,21-15+.
What are the key properties of N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide?
N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide has a molecular weight of 368.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide is sourced from PubChem (CID 59280767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).