O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate

C14H18N2OS — CID 134889917

IUPACO-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate
SMILESC=CCC/C(=N/N(C)C(=S)OC)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-4-5-11-13(12-9-7-6-8-10-12)15-16(2)14(18)17-3/h4,6-10H,1,5,11H2,2-3H3/b15-13-
InChIKeyRHYZQMSZNSLPGM-SQFISAMPSA-N
MW262.38 g/mol
LogP3.22
Rot. Bonds5

About O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate

O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate (PubChem CID 134889917) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate.

Molecular Properties

Compound NameO-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate
PubChem CID134889917
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameO-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate
SMILESC=CCC/C(=N/N(C)C(=S)OC)c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-4-5-11-13(12-9-7-6-8-10-12)15-16(2)14(18)17-3/h4,6-10H,1,5,11H2,2-3H3/b15-13-
InChIKeyRHYZQMSZNSLPGM-SQFISAMPSA-N
XLogP3.22
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate 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

diethyl [(E)-1-phenylpent-4-enylideneamino] phosphate
CID 24950663
N-methoxy-1-(2-methylphenyl)pent-4-en-1-imine
CID 163212329
3-bromoprop-1-ene;N-methyl-N-[(E)-1-phenylethylideneamino]methanamine;1-phenylpent-4-en-1-one
CID 172956096
(E)-N-methoxy-1-(4-methoxyphenyl)pent-4-en-1-imine
CID 46944422
N-[(E)-[(3E)-3-[benzenecarbonothioyl(methyl)hydrazinylidene]propylidene]amino]-N-methylbenzenecarbothioamide
CID 59280767
N-[(Z)-[(4Z)-4-[methyl(trimethylsilyl)hydrazinylidene]-1,4-diphenylbutylidene]amino]-N-trimethylsilylmethanamine
CID 89456050
disodium;N,N'-bis(benzenecarbonothioyl)-N,N'-dimethylpropanedihydrazonate
CID 72994509
[(3R)-3-methoxycarbonyl-2-methylidenehept-6-enyl] benzoate
CID 129412101
N-[methyl(prop-2-enyl)carbamothioyl]benzamide
CID 71374205
methyl 5-[methyl(sulfinooxy)hydrazinylidene]-5-phenylpentanoate
CID 174763491
1-[(Z)-1-phenylpentylideneamino]-3-prop-2-enylthiourea
CID 8978817
(Z)-N,N'-dimethoxy-1,4-diphenylbutane-1,4-diimine
CID 87328023

Frequently Asked Questions

What is the IUPAC name of O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate?
The IUPAC name of O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate (CID 134889917) is O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate.
What is the SMILES notation for O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate?
The canonical SMILES for O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate is C=CCC/C(=N/N(C)C(=S)OC)c1ccccc1.
What is the InChIKey of O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate?
The InChIKey is RHYZQMSZNSLPGM-SQFISAMPSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-4-5-11-13(12-9-7-6-8-10-12)15-16(2)14(18)17-3/h4,6-10H,1,5,11H2,2-3H3/b15-13-.
What are the key properties of O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate?
O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate has a molecular weight of 262.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-methyl N-methyl-N-[(Z)-1-phenylpent-4-enylideneamino]carbamothioate is sourced from PubChem (CID 134889917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).