1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea

C13H20N4S — CID 3002933

IUPAC1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
SMILESS=C(NCCN1CCCCC1)Nc1ccccn1
InChIInChI=1S/C13H20N4S/c18-13(16-12-6-2-3-7-14-12)15-8-11-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-11H2,(H2,14,15,16,18)
InChIKeyCVBVUXCAEGVLCF-UHFFFAOYSA-N
MW264.40 g/mol
LogP1.85
Rot. Bonds4

About 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea

1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea (PubChem CID 3002933) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea.

Molecular Properties

Compound Name1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
PubChem CID3002933
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea
SMILESS=C(NCCN1CCCCC1)Nc1ccccn1
InChIInChI=1S/C13H20N4S/c18-13(16-12-6-2-3-7-14-12)15-8-11-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-11H2,(H2,14,15,16,18)
InChIKeyCVBVUXCAEGVLCF-UHFFFAOYSA-N
XLogP1.85
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-piperidin-1-ylethyl)-3-pyridin-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

Related Compounds

1-(5-bromo-2-pyridinyl)-3-(2-morpholin-4-ylethyl)thiourea;bis(1-(5-bromo-2-pyridinyl)-3-(2-piperidin-1-ylethyl)thiourea);methane;1-pyridin-2-yl-3-(2-pyridin-2-ylethyl)thiourea
CID 158605972
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
1-(2-fluorophenyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 5178694
2-piperidin-1-yl-N-pyridin-2-ylacetamide
CID 12780526
1-(4-methyl-2-pyridinyl)-3-(3-pyrrolidin-1-ylpropyl)thiourea
CID 100631270
1-(3-methyl-2-pyridinyl)-3-(3-piperidin-1-ylpropyl)thiourea
CID 100621309
N-(piperidin-1-ylmethyl)pyridine-2-carbothioamide
CID 71366333
1-(1-phenylethyl)-3-(2-piperidin-1-ylethyl)thiourea
CID 2970670
1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea
CID 780336
1-[4-(2-pyridin-2-ylethenyl)phenyl]-3-(2-pyrrolidin-1-ylethyl)urea
CID 171135029
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192230
1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703456

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea?
The IUPAC name of 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea (CID 3002933) is 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea.
What is the SMILES notation for 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea?
The canonical SMILES for 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea is S=C(NCCN1CCCCC1)Nc1ccccn1.
What is the InChIKey of 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea?
The InChIKey is CVBVUXCAEGVLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c18-13(16-12-6-2-3-7-14-12)15-8-11-17-9-4-1-5-10-17/h2-3,6-7H,1,4-5,8-11H2,(H2,14,15,16,18).
What are the key properties of 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea?
1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea has a molecular weight of 264.40 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-1-ylethyl)-3-pyridin-2-ylthiourea is sourced from PubChem (CID 3002933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).