1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea

C18H15N3S2 — CID 44589280

IUPAC1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea
SMILESS=C(N/N=C/c1ccccc1-c1cccs1)Nc1ccccc1
InChIInChI=1S/C18H15N3S2/c22-18(20-15-8-2-1-3-9-15)21-19-13-14-7-4-5-10-16(14)17-11-6-12-23-17/h1-13H,(H2,20,21,22)/b19-13+
InChIKeyANUZZTOBIRLYHZ-CPNJWEJPSA-N
MW337.47 g/mol
LogP4.74
Rot. Bonds4

About 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea

1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea (PubChem CID 44589280) has the molecular formula C18H15N3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea.

Molecular Properties

Compound Name1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea
PubChem CID44589280
Molecular FormulaC18H15N3S2
Molecular Weight337.47 g/mol
Exact Mass337.07
IUPAC Name1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea
SMILESS=C(N/N=C/c1ccccc1-c1cccs1)Nc1ccccc1
InChIInChI=1S/C18H15N3S2/c22-18(20-15-8-2-1-3-9-15)21-19-13-14-7-4-5-10-16(14)17-11-6-12-23-17/h1-13H,(H2,20,21,22)/b19-13+
InChIKeyANUZZTOBIRLYHZ-CPNJWEJPSA-N
XLogP4.74
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea?
The IUPAC name of 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea (CID 44589280) is 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea.
What is the SMILES notation for 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea?
The canonical SMILES for 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea is S=C(N/N=C/c1ccccc1-c1cccs1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea?
The InChIKey is ANUZZTOBIRLYHZ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H15N3S2/c22-18(20-15-8-2-1-3-9-15)21-19-13-14-7-4-5-10-16(14)17-11-6-12-23-17/h1-13H,(H2,20,21,22)/b19-13+.
What are the key properties of 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea?
1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea has a molecular weight of 337.47 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(E)-(2-thiophen-2-ylphenyl)methylideneamino]thiourea is sourced from PubChem (CID 44589280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).