1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea

C10H18N4OS2 — CID 118947654

IUPAC1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea
SMILESCSCCCCCCNC(=O)Nc1cnns1
InChIInChI=1S/C10H18N4OS2/c1-16-7-5-3-2-4-6-11-10(15)13-9-8-12-14-17-9/h8H,2-7H2,1H3,(H2,11,13,15)
InChIKeySSDUXYLZGYYSHX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds8

About 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea

1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea (PubChem CID 118947654) has the molecular formula C10H18N4OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea
PubChem CID118947654
Molecular FormulaC10H18N4OS2
Molecular Weight274.41 g/mol
Exact Mass274.09
IUPAC Name1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea
SMILESCSCCCCCCNC(=O)Nc1cnns1
InChIInChI=1S/C10H18N4OS2/c1-16-7-5-3-2-4-6-11-10(15)13-9-8-12-14-17-9/h8H,2-7H2,1H3,(H2,11,13,15)
InChIKeySSDUXYLZGYYSHX-UHFFFAOYSA-N
XLogP2.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
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-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea (CID 118947654) is 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea is CSCCCCCCNC(=O)Nc1cnns1.
What is the InChIKey of 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is SSDUXYLZGYYSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS2/c1-16-7-5-3-2-4-6-11-10(15)13-9-8-12-14-17-9/h8H,2-7H2,1H3,(H2,11,13,15).
What are the key properties of 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea?
1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 274.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).