(4-methylthiadiazol-5-yl)urea

C4H6N4OS — CID 70510727

IUPAC(4-methylthiadiazol-5-yl)urea
SMILESCc1nnsc1NC(N)=O
InChIInChI=1S/C4H6N4OS/c1-2-3(6-4(5)9)10-8-7-2/h1H3,(H3,5,6,9)
InChIKeyKBINGGAOPWKYRD-UHFFFAOYSA-N
MW158.19 g/mol
LogP0.34
Rot. Bonds1

About (4-methylthiadiazol-5-yl)urea

(4-methylthiadiazol-5-yl)urea (PubChem CID 70510727) has the molecular formula C4H6N4OS and a molecular weight of 158.19 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)urea.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)urea
PubChem CID70510727
Molecular FormulaC4H6N4OS
Molecular Weight158.19 g/mol
Exact Mass158.03
IUPAC Name(4-methylthiadiazol-5-yl)urea
SMILESCc1nnsc1NC(N)=O
InChIInChI=1S/C4H6N4OS/c1-2-3(6-4(5)9)10-8-7-2/h1H3,(H3,5,6,9)
InChIKeyKBINGGAOPWKYRD-UHFFFAOYSA-N
XLogP0.34
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)urea?
The IUPAC name of (4-methylthiadiazol-5-yl)urea (CID 70510727) is (4-methylthiadiazol-5-yl)urea.
What is the SMILES notation for (4-methylthiadiazol-5-yl)urea?
The canonical SMILES for (4-methylthiadiazol-5-yl)urea is Cc1nnsc1NC(N)=O.
What is the InChIKey of (4-methylthiadiazol-5-yl)urea?
The InChIKey is KBINGGAOPWKYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4OS/c1-2-3(6-4(5)9)10-8-7-2/h1H3,(H3,5,6,9).
What are the key properties of (4-methylthiadiazol-5-yl)urea?
(4-methylthiadiazol-5-yl)urea has a molecular weight of 158.19 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)urea is sourced from PubChem (CID 70510727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).