[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea

C14H14N4S — CID 5359914

IUPAC[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
SMILESNC(=S)N/N=C(\Cc1ccccc1)c1ccncc1
InChIInChI=1S/C14H14N4S/c15-14(19)18-17-13(12-6-8-16-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,15,18,19)/b17-13+
InChIKeyCVQASXWBCAHHDA-GHRIWEEISA-N
MW270.36 g/mol
LogP1.86
Rot. Bonds4

About [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea

[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea (PubChem CID 5359914) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea.

Molecular Properties

Compound Name[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
PubChem CID5359914
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea
SMILESNC(=S)N/N=C(\Cc1ccccc1)c1ccncc1
InChIInChI=1S/C14H14N4S/c15-14(19)18-17-13(12-6-8-16-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,15,18,19)/b17-13+
InChIKeyCVQASXWBCAHHDA-GHRIWEEISA-N
XLogP1.86
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea 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

[(E)-1,2-diphenylethylideneamino]thiourea
CID 52945875
N-[(2E)-2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-phenylacetamide
CID 18795136
[(3-chloro-1-phenylpropylidene)amino]thiourea
CID 174499987
4-(carbamothioylhydrazinylidene)-4-phenylbutanoic acid
CID 3038095
N-[2-(carbamothioylhydrazinylidene)-2-phenylethyl]-2-methylpropanamide
CID 54332763
N-[[1-(4-fluorophenyl)-2-pyridin-4-ylethylidene]amino]benzamide
CID 91385749
ethylbenzene;(propan-2-ylideneamino)thiourea
CID 174477199
[(Z)-1-(2-ethylphenyl)propylideneamino]thiourea
CID 121010367
[(Z)-4-phenylbutan-2-ylideneamino]thiourea
CID 5360785
(1-phenylethylideneamino)thiourea
CID 912962
2-(1,2-diphenylethylideneamino)guanidine
CID 77060183
[(Z)-[1-phenyl-2-(2-phenylacetyl)arsanylbutylidene]amino]thiourea
CID 173316009

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea?
The IUPAC name of [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea (CID 5359914) is [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea.
What is the SMILES notation for [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea?
The canonical SMILES for [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea is NC(=S)N/N=C(\Cc1ccccc1)c1ccncc1.
What is the InChIKey of [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea?
The InChIKey is CVQASXWBCAHHDA-GHRIWEEISA-N. The full InChI is InChI=1S/C14H14N4S/c15-14(19)18-17-13(12-6-8-16-9-7-12)10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,15,18,19)/b17-13+.
What are the key properties of [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea?
[(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea has a molecular weight of 270.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-phenyl-1-pyridin-4-ylethylidene)amino]thiourea is sourced from PubChem (CID 5359914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).