(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide

C16H15N3S — CID 167447331

IUPAC(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide
SMILES[H]/N=C/c1cccc(/N=C(N)/C=C(\S)c2ccccc2)c1
InChIInChI=1S/C16H15N3S/c17-11-12-5-4-8-14(9-12)19-16(18)10-15(20)13-6-2-1-3-7-13/h1-11,17,20H,(H2,18,19)/b15-10-,17-11+
InChIKeyDMNJLUIDGPAMJZ-JBOZTJCHSA-N
MW281.38 g/mol
LogP3.64
Rot. Bonds4

About (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide

(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide (PubChem CID 167447331) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide
PubChem CID167447331
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide
SMILES[H]/N=C/c1cccc(/N=C(N)/C=C(\S)c2ccccc2)c1
InChIInChI=1S/C16H15N3S/c17-11-12-5-4-8-14(9-12)19-16(18)10-15(20)13-6-2-1-3-7-13/h1-11,17,20H,(H2,18,19)/b15-10-,17-11+
InChIKeyDMNJLUIDGPAMJZ-JBOZTJCHSA-N
XLogP3.64
TPSA62.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide?
The IUPAC name of (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide (CID 167447331) is (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide.
What is the SMILES notation for (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide?
The canonical SMILES for (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide is [H]/N=C/c1cccc(/N=C(N)/C=C(\S)c2ccccc2)c1.
What is the InChIKey of (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide?
The InChIKey is DMNJLUIDGPAMJZ-JBOZTJCHSA-N. The full InChI is InChI=1S/C16H15N3S/c17-11-12-5-4-8-14(9-12)19-16(18)10-15(20)13-6-2-1-3-7-13/h1-11,17,20H,(H2,18,19)/b15-10-,17-11+.
What are the key properties of (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide?
(Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide has a molecular weight of 281.38 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(3-methanimidoylphenyl)-3-phenyl-3-sulfanylprop-2-enimidamide is sourced from PubChem (CID 167447331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).