1-pyridin-2-yl-3-pyridin-3-ylthiourea

C11H10N4S — CID 2766576

IUPAC1-pyridin-2-yl-3-pyridin-3-ylthiourea
SMILESS=C(Nc1cccnc1)Nc1ccccn1
InChIInChI=1S/C11H10N4S/c16-11(14-9-4-3-6-12-8-9)15-10-5-1-2-7-13-10/h1-8H,(H2,13,14,15,16)
InChIKeyKNNWFBBYKVPNPG-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.29
Rot. Bonds2

About 1-pyridin-2-yl-3-pyridin-3-ylthiourea

1-pyridin-2-yl-3-pyridin-3-ylthiourea (PubChem CID 2766576) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-pyridin-2-yl-3-pyridin-3-ylthiourea.

Molecular Properties

Compound Name1-pyridin-2-yl-3-pyridin-3-ylthiourea
PubChem CID2766576
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name1-pyridin-2-yl-3-pyridin-3-ylthiourea
SMILESS=C(Nc1cccnc1)Nc1ccccn1
InChIInChI=1S/C11H10N4S/c16-11(14-9-4-3-6-12-8-9)15-10-5-1-2-7-13-10/h1-8H,(H2,13,14,15,16)
InChIKeyKNNWFBBYKVPNPG-UHFFFAOYSA-N
XLogP2.29
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2'-Dipyridylamine
CID 14547
N-2-Pyridylaniline
CID 81130
1-(2-Pyridyl)piperazine
CID 94459
2,3-Diaminopyridine
CID 9956
2,5-Pyridinediamine
CID 20314
1-Phenyl-3-(2-pyridyl)thiourea
CID 701009
Urea, 1-cyclohexyl-3-(2-pyridyl)-2-thio-
CID 721803
N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea
CID 686648
Trovirdine
CID 3000870
Trovirdine hydrochloride
CID 5327620
N-Cyano-N'-(1,1-dimethylethyl)-N''-3-pyridinylguanidine
CID 43344
Guanidine, 2-cyano-1-neopentyl-3-(3-pyridyl)-
CID 3042790

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-3-pyridin-3-ylthiourea?
The IUPAC name of 1-pyridin-2-yl-3-pyridin-3-ylthiourea (CID 2766576) is 1-pyridin-2-yl-3-pyridin-3-ylthiourea.
What is the SMILES notation for 1-pyridin-2-yl-3-pyridin-3-ylthiourea?
The canonical SMILES for 1-pyridin-2-yl-3-pyridin-3-ylthiourea is S=C(Nc1cccnc1)Nc1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-3-pyridin-3-ylthiourea?
The InChIKey is KNNWFBBYKVPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c16-11(14-9-4-3-6-12-8-9)15-10-5-1-2-7-13-10/h1-8H,(H2,13,14,15,16).
What are the key properties of 1-pyridin-2-yl-3-pyridin-3-ylthiourea?
1-pyridin-2-yl-3-pyridin-3-ylthiourea has a molecular weight of 230.30 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-3-pyridin-3-ylthiourea is sourced from PubChem (CID 2766576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).