1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea

C6H9N3S2 — CID 119091478

IUPAC1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea
SMILESCNC(=S)Nc1ncc(C)s1
InChIInChI=1S/C6H9N3S2/c1-4-3-8-6(11-4)9-5(10)7-2/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyUBYYVTBWIBMBQO-UHFFFAOYSA-N
MW187.29 g/mol
LogP1.37
Rot. Bonds1

About 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea

1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea (PubChem CID 119091478) has the molecular formula C6H9N3S2 and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea
PubChem CID119091478
Molecular FormulaC6H9N3S2
Molecular Weight187.29 g/mol
Exact Mass187.02
IUPAC Name1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea
SMILESCNC(=S)Nc1ncc(C)s1
InChIInChI=1S/C6H9N3S2/c1-4-3-8-6(11-4)9-5(10)7-2/h3H,1-2H3,(H2,7,8,9,10)
InChIKeyUBYYVTBWIBMBQO-UHFFFAOYSA-N
XLogP1.37
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)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 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea?
The IUPAC name of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea (CID 119091478) is 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea?
The canonical SMILES for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea is CNC(=S)Nc1ncc(C)s1.
What is the InChIKey of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea?
The InChIKey is UBYYVTBWIBMBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S2/c1-4-3-8-6(11-4)9-5(10)7-2/h3H,1-2H3,(H2,7,8,9,10).
What are the key properties of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea?
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea has a molecular weight of 187.29 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiourea is sourced from PubChem (CID 119091478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).