pyridin-2-ylthiourea

C6H7N3S — CID 1490491

IUPACpyridin-2-ylthiourea
SMILESNC(=S)Nc1ccccn1
InChIInChI=1S/C6H7N3S/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H3,7,8,9,10)
InChIKeySLUHLANJIVXTRQ-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.74
Rot. Bonds1

About pyridin-2-ylthiourea

pyridin-2-ylthiourea (PubChem CID 1490491) has the molecular formula C6H7N3S and a molecular weight of 153.21 g/mol. Its IUPAC name is pyridin-2-ylthiourea.

Molecular Properties

Compound Namepyridin-2-ylthiourea
PubChem CID1490491
Molecular FormulaC6H7N3S
Molecular Weight153.21 g/mol
Exact Mass153.04
IUPAC Namepyridin-2-ylthiourea
SMILESNC(=S)Nc1ccccn1
InChIInChI=1S/C6H7N3S/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H3,7,8,9,10)
InChIKeySLUHLANJIVXTRQ-UHFFFAOYSA-N
XLogP0.74
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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

[4-(pyridin-2-ylsulfamoyl)phenyl]thiourea
CID 87842258
1-carbamoyl-3-pyridin-2-ylurea
CID 564989
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea
CID 67884901
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
2,2-diphenyl-N-(pyridin-2-ylcarbamothioyl)acetamide
CID 920575
methanol;N-methylpyridin-2-amine
CID 174971654
2-(carbamothioylamino)pyridine-4-carboxamide
CID 175468942
(4-methyl-2-pyridinyl)thiourea;molecular nitrogen
CID 170549235
2-(pyridin-2-ylamino)propan-2-ol
CID 91613794
1-(2-methylprop-2-enyl)-3-pyridin-2-ylthiourea
CID 780336
1-(2-methylsulfanylphenyl)-3-pyridin-2-ylthiourea
CID 5249658

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylthiourea?
The IUPAC name of pyridin-2-ylthiourea (CID 1490491) is pyridin-2-ylthiourea.
What is the SMILES notation for pyridin-2-ylthiourea?
The canonical SMILES for pyridin-2-ylthiourea is NC(=S)Nc1ccccn1.
What is the InChIKey of pyridin-2-ylthiourea?
The InChIKey is SLUHLANJIVXTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3S/c7-6(10)9-5-3-1-2-4-8-5/h1-4H,(H3,7,8,9,10).
What are the key properties of pyridin-2-ylthiourea?
pyridin-2-ylthiourea has a molecular weight of 153.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylthiourea is sourced from PubChem (CID 1490491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).