1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea

C12H13N5S — CID 3002132

IUPAC1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea
SMILESS=C(NCCc1ccccn1)Nc1cccnn1
InChIInChI=1S/C12H13N5S/c18-12(16-11-5-3-8-15-17-11)14-9-6-10-4-1-2-7-13-10/h1-5,7-8H,6,9H2,(H2,14,16,17,18)
InChIKeyKQVSZZVSTLJYRR-UHFFFAOYSA-N
MW259.34 g/mol
LogP1.40
Rot. Bonds4

About 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea

1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea (PubChem CID 3002132) has the molecular formula C12H13N5S and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea.

Molecular Properties

Compound Name1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea
PubChem CID3002132
Molecular FormulaC12H13N5S
Molecular Weight259.34 g/mol
Exact Mass259.09
IUPAC Name1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea
SMILESS=C(NCCc1ccccn1)Nc1cccnn1
InChIInChI=1S/C12H13N5S/c18-12(16-11-5-3-8-15-17-11)14-9-6-10-4-1-2-7-13-10/h1-5,7-8H,6,9H2,(H2,14,16,17,18)
InChIKeyKQVSZZVSTLJYRR-UHFFFAOYSA-N
XLogP1.40
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-pyridazin-3-yl-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

Related Compounds

1-(4-ethoxyphenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 8627793
1-(2,4-difluorophenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 2730114
1-(2-chloro-6-methylphenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 2747452
1-[2-(3-fluorophenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703456
1-[(1R,4R)-2,5-dithia-7-azabicyclo[2.2.1]heptan-7-yl]-3-(2-pyridin-2-ylethyl)thiourea
CID 11859674
1-(5-chloro-2-methoxyphenyl)-3-(2-pyridin-2-ylethyl)thiourea
CID 3421274
1-pyridin-2-yl-3-[2-(2,3,4-trifluorophenyl)ethyl]thiourea
CID 19703878
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylthiourea
CID 19703834
3-(2-pyridin-2-ylethylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743183
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
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

Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea?
The IUPAC name of 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea (CID 3002132) is 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea.
What is the SMILES notation for 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea?
The canonical SMILES for 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea is S=C(NCCc1ccccn1)Nc1cccnn1.
What is the InChIKey of 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea?
The InChIKey is KQVSZZVSTLJYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5S/c18-12(16-11-5-3-8-15-17-11)14-9-6-10-4-1-2-7-13-10/h1-5,7-8H,6,9H2,(H2,14,16,17,18).
What are the key properties of 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea?
1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea has a molecular weight of 259.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-yl-3-(2-pyridin-2-ylethyl)thiourea is sourced from PubChem (CID 3002132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).