1-[anilino(phenyl)methylidene]-3-methylthiourea

C15H15N3S — CID 2830394

IUPAC1-[anilino(phenyl)methylidene]-3-methylthiourea
SMILESCNC(=S)N=C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15N3S/c1-16-15(19)18-14(12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,17,18,19)
InChIKeyWFGOBTIVDQXNOU-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.05
Rot. Bonds2

About 1-[anilino(phenyl)methylidene]-3-methylthiourea

1-[anilino(phenyl)methylidene]-3-methylthiourea (PubChem CID 2830394) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-[anilino(phenyl)methylidene]-3-methylthiourea.

Molecular Properties

Compound Name1-[anilino(phenyl)methylidene]-3-methylthiourea
PubChem CID2830394
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-[anilino(phenyl)methylidene]-3-methylthiourea
SMILESCNC(=S)N=C(Nc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15N3S/c1-16-15(19)18-14(12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,17,18,19)
InChIKeyWFGOBTIVDQXNOU-UHFFFAOYSA-N
XLogP3.05
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.05
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 1-[anilino(phenyl)methylidene]-3-methylthiourea?
The IUPAC name of 1-[anilino(phenyl)methylidene]-3-methylthiourea (CID 2830394) is 1-[anilino(phenyl)methylidene]-3-methylthiourea.
What is the SMILES notation for 1-[anilino(phenyl)methylidene]-3-methylthiourea?
The canonical SMILES for 1-[anilino(phenyl)methylidene]-3-methylthiourea is CNC(=S)N=C(Nc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[anilino(phenyl)methylidene]-3-methylthiourea?
The InChIKey is WFGOBTIVDQXNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-16-15(19)18-14(12-8-4-2-5-9-12)17-13-10-6-3-7-11-13/h2-11H,1H3,(H2,16,17,18,19).
What are the key properties of 1-[anilino(phenyl)methylidene]-3-methylthiourea?
1-[anilino(phenyl)methylidene]-3-methylthiourea has a molecular weight of 269.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[anilino(phenyl)methylidene]-3-methylthiourea is sourced from PubChem (CID 2830394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).