(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide

C10H14N2OS — CID 143768607

IUPAC(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)NC(=S)NC
InChIInChI=1S/C10H14N2OS/c1-4-6-8(5-2)7-9(13)12-10(14)11-3/h4-6H,1-2,7H2,3H3,(H2,11,12,13,14)/b8-6+
InChIKeyZBISTLCPBCUCSQ-SOFGYWHQSA-N
MW210.30 g/mol
LogP1.30
Rot. Bonds4

About (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide

(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide (PubChem CID 143768607) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide
PubChem CID143768607
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)NC(=S)NC
InChIInChI=1S/C10H14N2OS/c1-4-6-8(5-2)7-9(13)12-10(14)11-3/h4-6H,1-2,7H2,3H3,(H2,11,12,13,14)/b8-6+
InChIKeyZBISTLCPBCUCSQ-SOFGYWHQSA-N
XLogP1.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide 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

2-[(2E)-2-ethenylpenta-2,4-dienyl]sulfanyl-N-methylacetamide
CID 142133162
[(2E)-2-ethenylpenta-2,4-dienyl] N-methylcarbamate
CID 142074520
(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide
CID 143113299
(4Z)-2-amino-4-ethenyl-N-methylhepta-4,6-dienamide
CID 144506280
3-methyl-N-(methylcarbamothioyl)butanamide
CID 24847571
(3Z)-3-ethenyl-N-oxohexa-3,5-dienamide
CID 89001510
(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
CID 143006742
N-[(2E)-2-ethenylpenta-2,4-dienyl]propanamide
CID 144680343
N-[(2E)-2-ethenylpenta-2,4-dienyl]ethanethioamide
CID 143081819
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3Z)-3-ethenyl-1-(2-hydroxyphenyl)hexa-3,5-dien-1-one
CID 144763250
(2S)-5-amino-2-[[(3Z)-3-ethenylhexa-3,5-dienoyl]amino]-5-oxopentanoic acid
CID 140902711

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide?
The IUPAC name of (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide (CID 143768607) is (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide.
What is the SMILES notation for (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide?
The canonical SMILES for (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide is C=C/C=C(\C=C)CC(=O)NC(=S)NC.
What is the InChIKey of (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide?
The InChIKey is ZBISTLCPBCUCSQ-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-4-6-8(5-2)7-9(13)12-10(14)11-3/h4-6H,1-2,7H2,3H3,(H2,11,12,13,14)/b8-6+.
What are the key properties of (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide?
(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide has a molecular weight of 210.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide is sourced from PubChem (CID 143768607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).