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'}

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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).