1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea

C15H21N3S — CID 2809353

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea
SMILESS=C(NCCc1ccccn1)NC1CC2CCC1C2
InChIInChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)
InChIKeyOUSKFHAFKTWQAS-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.28
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea

1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea (PubChem CID 2809353) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea
PubChem CID2809353
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea
SMILESS=C(NCCc1ccccn1)NC1CC2CCC1C2
InChIInChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)
InChIKeyOUSKFHAFKTWQAS-UHFFFAOYSA-N
XLogP2.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea 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 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea (CID 2809353) is 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea is S=C(NCCc1ccccn1)NC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea?
The InChIKey is OUSKFHAFKTWQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea?
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea has a molecular weight of 275.42 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-3-(2-pyridin-2-ylethyl)thiourea is sourced from PubChem (CID 2809353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).