[anilino(phenyl)methylidene]thiourea

C14H13N3S — CID 2770119

IUPAC[anilino(phenyl)methylidene]thiourea
SMILESNC(=S)N=C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3S/c15-14(18)17-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18)
InChIKeyYEDWMNOEZVHVMT-UHFFFAOYSA-N
MW255.35 g/mol
LogP2.79
Rot. Bonds2

About [anilino(phenyl)methylidene]thiourea

[anilino(phenyl)methylidene]thiourea (PubChem CID 2770119) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is [anilino(phenyl)methylidene]thiourea.

Molecular Properties

Compound Name[anilino(phenyl)methylidene]thiourea
PubChem CID2770119
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name[anilino(phenyl)methylidene]thiourea
SMILESNC(=S)N=C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3S/c15-14(18)17-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18)
InChIKeyYEDWMNOEZVHVMT-UHFFFAOYSA-N
XLogP2.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of [anilino(phenyl)methylidene]thiourea?
The IUPAC name of [anilino(phenyl)methylidene]thiourea (CID 2770119) is [anilino(phenyl)methylidene]thiourea.
What is the SMILES notation for [anilino(phenyl)methylidene]thiourea?
The canonical SMILES for [anilino(phenyl)methylidene]thiourea is NC(=S)N=C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of [anilino(phenyl)methylidene]thiourea?
The InChIKey is YEDWMNOEZVHVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c15-14(18)17-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18).
What are the key properties of [anilino(phenyl)methylidene]thiourea?
[anilino(phenyl)methylidene]thiourea has a molecular weight of 255.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [anilino(phenyl)methylidene]thiourea is sourced from PubChem (CID 2770119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).