3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea

C17H24N2S — CID 3967222

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea
SMILESCC(C)N(C(=S)NC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C17H24N2S/c1-12(2)19(15-6-4-3-5-7-15)17(20)18-16-11-13-8-9-14(16)10-13/h3-7,12-14,16H,8-11H2,1-2H3,(H,18,20)
InChIKeyDKHHYTUZTUVUMX-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.96
Rot. Bonds3

About 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea

3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea (PubChem CID 3967222) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea
PubChem CID3967222
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea
SMILESCC(C)N(C(=S)NC1CC2CCC1C2)c1ccccc1
InChIInChI=1S/C17H24N2S/c1-12(2)19(15-6-4-3-5-7-15)17(20)18-16-11-13-8-9-14(16)10-13/h3-7,12-14,16H,8-11H2,1-2H3,(H,18,20)
InChIKeyDKHHYTUZTUVUMX-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea (CID 3967222) is 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea is CC(C)N(C(=S)NC1CC2CCC1C2)c1ccccc1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea?
The InChIKey is DKHHYTUZTUVUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12(2)19(15-6-4-3-5-7-15)17(20)18-16-11-13-8-9-14(16)10-13/h3-7,12-14,16H,8-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea?
3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea has a molecular weight of 288.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1-phenyl-1-propan-2-ylthiourea is sourced from PubChem (CID 3967222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).