1-methyl-3-(N-phenylanilino)thiourea

C14H15N3S — CID 2423469

IUPAC1-methyl-3-(N-phenylanilino)thiourea
SMILESCNC(=S)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N3S/c1-15-14(18)16-17(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,15,16,18)
InChIKeyYWMQPVNCPFTLJV-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.83
Rot. Bonds3

About 1-methyl-3-(N-phenylanilino)thiourea

1-methyl-3-(N-phenylanilino)thiourea (PubChem CID 2423469) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1-methyl-3-(N-phenylanilino)thiourea.

Molecular Properties

Compound Name1-methyl-3-(N-phenylanilino)thiourea
PubChem CID2423469
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name1-methyl-3-(N-phenylanilino)thiourea
SMILESCNC(=S)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H15N3S/c1-15-14(18)16-17(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,15,16,18)
InChIKeyYWMQPVNCPFTLJV-UHFFFAOYSA-N
XLogP2.83
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-methyl-3-(N-phenylanilino)thiourea?
The IUPAC name of 1-methyl-3-(N-phenylanilino)thiourea (CID 2423469) is 1-methyl-3-(N-phenylanilino)thiourea.
What is the SMILES notation for 1-methyl-3-(N-phenylanilino)thiourea?
The canonical SMILES for 1-methyl-3-(N-phenylanilino)thiourea is CNC(=S)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-methyl-3-(N-phenylanilino)thiourea?
The InChIKey is YWMQPVNCPFTLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-15-14(18)16-17(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H2,15,16,18).
What are the key properties of 1-methyl-3-(N-phenylanilino)thiourea?
1-methyl-3-(N-phenylanilino)thiourea has a molecular weight of 257.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(N-phenylanilino)thiourea is sourced from PubChem (CID 2423469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).