(1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea

C20H18N4S — CID 57325851

IUPAC(1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea
SMILESS=C(/N=C(\Nc1ccccc1)c1ccccc1)NCc1cccnc1
InChIInChI=1S/C20H18N4S/c25-20(22-15-16-8-7-13-21-14-16)24-19(17-9-3-1-4-10-17)23-18-11-5-2-6-12-18/h1-14H,15H2,(H2,22,23,24,25)
InChIKeyOSKZJXIOCDLNBC-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.01
Rot. Bonds4

About (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea

(1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea (PubChem CID 57325851) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea.

Molecular Properties

Compound Name(1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea
PubChem CID57325851
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name(1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea
SMILESS=C(/N=C(\Nc1ccccc1)c1ccccc1)NCc1cccnc1
InChIInChI=1S/C20H18N4S/c25-20(22-15-16-8-7-13-21-14-16)24-19(17-9-3-1-4-10-17)23-18-11-5-2-6-12-18/h1-14H,15H2,(H2,22,23,24,25)
InChIKeyOSKZJXIOCDLNBC-UHFFFAOYSA-N
XLogP4.01
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)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

(1E)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea
CID 140779029
1-phenyl-3-(pyridin-3-ylmethyl)thiourea
CID 804302
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
N-[4-(pyridin-3-ylmethylcarbamothioylamino)phenyl]acetamide
CID 7678953
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
1-(3-acetylphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 970859
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842
pyridin-3-ylmethylcarbamodithioic acid;hydrochloride
CID 89413120

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea?
The IUPAC name of (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea (CID 57325851) is (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea.
What is the SMILES notation for (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea?
The canonical SMILES for (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea is S=C(/N=C(\Nc1ccccc1)c1ccccc1)NCc1cccnc1.
What is the InChIKey of (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea?
The InChIKey is OSKZJXIOCDLNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c25-20(22-15-16-8-7-13-21-14-16)24-19(17-9-3-1-4-10-17)23-18-11-5-2-6-12-18/h1-14H,15H2,(H2,22,23,24,25).
What are the key properties of (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea?
(1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea has a molecular weight of 346.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[anilino(phenyl)methylidene]-3-(pyridin-3-ylmethyl)thiourea is sourced from PubChem (CID 57325851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).