1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea

C6H10N4OS2 — CID 118947655

IUPAC1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea
SMILESCSCCNC(=O)Nc1cnns1
InChIInChI=1S/C6H10N4OS2/c1-12-3-2-7-6(11)9-5-4-8-10-13-5/h4H,2-3H2,1H3,(H2,7,9,11)
InChIKeyMDGOSUXYEUIAAC-UHFFFAOYSA-N
MW218.31 g/mol
LogP1.02
Rot. Bonds4

About 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea

1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea (PubChem CID 118947655) has the molecular formula C6H10N4OS2 and a molecular weight of 218.31 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea
PubChem CID118947655
Molecular FormulaC6H10N4OS2
Molecular Weight218.31 g/mol
Exact Mass218.03
IUPAC Name1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea
SMILESCSCCNC(=O)Nc1cnns1
InChIInChI=1S/C6H10N4OS2/c1-12-3-2-7-6(11)9-5-4-8-10-13-5/h4H,2-3H2,1H3,(H2,7,9,11)
InChIKeyMDGOSUXYEUIAAC-UHFFFAOYSA-N
XLogP1.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea (CID 118947655) is 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea is CSCCNC(=O)Nc1cnns1.
What is the InChIKey of 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is MDGOSUXYEUIAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS2/c1-12-3-2-7-6(11)9-5-4-8-10-13-5/h4H,2-3H2,1H3,(H2,7,9,11).
What are the key properties of 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea?
1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 218.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).