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

C19H23N3S — CID 2422741

IUPAC1-cyclohexyl-3-(N-phenylanilino)thiourea
SMILESS=C(NC1CCCCC1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3S/c23-19(20-16-10-4-1-5-11-16)21-22(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2,(H2,20,21,23)
InChIKeySXLGIKOIBDEQRS-UHFFFAOYSA-N
MW325.48 g/mol
LogP4.54
Rot. Bonds4

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

1-cyclohexyl-3-(N-phenylanilino)thiourea (PubChem CID 2422741) has the molecular formula C19H23N3S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-(N-phenylanilino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(N-phenylanilino)thiourea
PubChem CID2422741
Molecular FormulaC19H23N3S
Molecular Weight325.48 g/mol
Exact Mass325.16
IUPAC Name1-cyclohexyl-3-(N-phenylanilino)thiourea
SMILESS=C(NC1CCCCC1)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23N3S/c23-19(20-16-10-4-1-5-11-16)21-22(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2,(H2,20,21,23)
InChIKeySXLGIKOIBDEQRS-UHFFFAOYSA-N
XLogP4.54
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 54.54
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-cyclohexyl-3-(N-phenylanilino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(N-phenylanilino)thiourea (CID 2422741) is 1-cyclohexyl-3-(N-phenylanilino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(N-phenylanilino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(N-phenylanilino)thiourea is S=C(NC1CCCCC1)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-(N-phenylanilino)thiourea?
The InChIKey is SXLGIKOIBDEQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3S/c23-19(20-16-10-4-1-5-11-16)21-22(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2-3,6-9,12-16H,1,4-5,10-11H2,(H2,20,21,23).
What are the key properties of 1-cyclohexyl-3-(N-phenylanilino)thiourea?
1-cyclohexyl-3-(N-phenylanilino)thiourea has a molecular weight of 325.48 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(N-phenylanilino)thiourea is sourced from PubChem (CID 2422741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).