(3-methyl-2-pyridinyl)thiourea

C7H9N3S — CID 1480047

IUPAC(3-methyl-2-pyridinyl)thiourea
SMILESCc1cccnc1NC(N)=S
InChIInChI=1S/C7H9N3S/c1-5-3-2-4-9-6(5)10-7(8)11/h2-4H,1H3,(H3,8,9,10,11)
InChIKeyGHHXGWZMJBHPOM-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.05
Rot. Bonds1

About (3-methyl-2-pyridinyl)thiourea

(3-methyl-2-pyridinyl)thiourea (PubChem CID 1480047) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is (3-methyl-2-pyridinyl)thiourea.

Molecular Properties

Compound Name(3-methyl-2-pyridinyl)thiourea
PubChem CID1480047
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name(3-methyl-2-pyridinyl)thiourea
SMILESCc1cccnc1NC(N)=S
InChIInChI=1S/C7H9N3S/c1-5-3-2-4-9-6(5)10-7(8)11/h2-4H,1H3,(H3,8,9,10,11)
InChIKeyGHHXGWZMJBHPOM-UHFFFAOYSA-N
XLogP1.05
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methyl-2-pyridinyl)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 (3-methyl-2-pyridinyl)thiourea?
The IUPAC name of (3-methyl-2-pyridinyl)thiourea (CID 1480047) is (3-methyl-2-pyridinyl)thiourea.
What is the SMILES notation for (3-methyl-2-pyridinyl)thiourea?
The canonical SMILES for (3-methyl-2-pyridinyl)thiourea is Cc1cccnc1NC(N)=S.
What is the InChIKey of (3-methyl-2-pyridinyl)thiourea?
The InChIKey is GHHXGWZMJBHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-5-3-2-4-9-6(5)10-7(8)11/h2-4H,1H3,(H3,8,9,10,11).
What are the key properties of (3-methyl-2-pyridinyl)thiourea?
(3-methyl-2-pyridinyl)thiourea has a molecular weight of 167.24 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-pyridinyl)thiourea is sourced from PubChem (CID 1480047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).