4-methylthiadiazole;urea

C4H8N4OS — CID 158551182

IUPAC4-methylthiadiazole;urea
SMILESCc1csnn1.NC(N)=O
InChIInChI=1S/C3H4N2S.CH4N2O/c1-3-2-6-5-4-3;2-1(3)4/h2H,1H3;(H4,2,3,4)
InChIKeyHPSXHLRJWWZCRP-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.13
Rot. Bonds

About 4-methylthiadiazole;urea

4-methylthiadiazole;urea (PubChem CID 158551182) has the molecular formula C4H8N4OS and a molecular weight of 160.20 g/mol. Its IUPAC name is 4-methylthiadiazole;urea.

Molecular Properties

Compound Name4-methylthiadiazole;urea
PubChem CID158551182
Molecular FormulaC4H8N4OS
Molecular Weight160.20 g/mol
Exact Mass160.04
IUPAC Name4-methylthiadiazole;urea
SMILESCc1csnn1.NC(N)=O
InChIInChI=1S/C3H4N2S.CH4N2O/c1-3-2-6-5-4-3;2-1(3)4/h2H,1H3;(H4,2,3,4)
InChIKeyHPSXHLRJWWZCRP-UHFFFAOYSA-N
XLogP-0.13
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methylthiadiazole;urea 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 4-methylthiadiazole;urea?
The IUPAC name of 4-methylthiadiazole;urea (CID 158551182) is 4-methylthiadiazole;urea.
What is the SMILES notation for 4-methylthiadiazole;urea?
The canonical SMILES for 4-methylthiadiazole;urea is Cc1csnn1.NC(N)=O.
What is the InChIKey of 4-methylthiadiazole;urea?
The InChIKey is HPSXHLRJWWZCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.CH4N2O/c1-3-2-6-5-4-3;2-1(3)4/h2H,1H3;(H4,2,3,4).
What are the key properties of 4-methylthiadiazole;urea?
4-methylthiadiazole;urea has a molecular weight of 160.20 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiadiazole;urea is sourced from PubChem (CID 158551182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).