3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea

C14H24N2S — CID 2809375

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)NC1CC2C=CC1C2
InChIInChI=1S/C14H24N2S/c1-3-7-16(8-4-2)14(17)15-13-10-11-5-6-12(13)9-11/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeyWZXURTAHRGLECZ-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.95
Rot. Bonds5

About 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea

3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea (PubChem CID 2809375) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea
PubChem CID2809375
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea
SMILESCCCN(CCC)C(=S)NC1CC2C=CC1C2
InChIInChI=1S/C14H24N2S/c1-3-7-16(8-4-2)14(17)15-13-10-11-5-6-12(13)9-11/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,15,17)
InChIKeyWZXURTAHRGLECZ-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea 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]hept-5-enyl)-1,1-dipropylthiourea?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea (CID 2809375) is 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea is CCCN(CCC)C(=S)NC1CC2C=CC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea?
The InChIKey is WZXURTAHRGLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-3-7-16(8-4-2)14(17)15-13-10-11-5-6-12(13)9-11/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea?
3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dipropylthiourea has a molecular weight of 252.43 g/mol, XLogP of 2.95, 5 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]hept-5-enyl)-1,1-dipropylthiourea is sourced from PubChem (CID 2809375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).