1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea

C9H16N4OS2 — CID 118947581

IUPAC1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea
SMILESCSCCCCCNC(=O)Nc1cnns1
InChIInChI=1S/C9H16N4OS2/c1-15-6-4-2-3-5-10-9(14)12-8-7-11-13-16-8/h7H,2-6H2,1H3,(H2,10,12,14)
InChIKeyNEIBRYJQAPNNGJ-UHFFFAOYSA-N
MW260.39 g/mol
LogP2.19
Rot. Bonds7

About 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea

1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea (PubChem CID 118947581) has the molecular formula C9H16N4OS2 and a molecular weight of 260.39 g/mol. Its IUPAC name is 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea
PubChem CID118947581
Molecular FormulaC9H16N4OS2
Molecular Weight260.39 g/mol
Exact Mass260.08
IUPAC Name1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea
SMILESCSCCCCCNC(=O)Nc1cnns1
InChIInChI=1S/C9H16N4OS2/c1-15-6-4-2-3-5-10-9(14)12-8-7-11-13-16-8/h7H,2-6H2,1H3,(H2,10,12,14)
InChIKeyNEIBRYJQAPNNGJ-UHFFFAOYSA-N
XLogP2.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.39
LogP ≤ 52.19
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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Related Compounds

1-Butyl-1-ethyl-3-(thiadiazol-5-yl)urea
CID 99836113
N-Cyclohexyl-N'-1,2,3-thiadiazol-5-ylurea
CID 13729971
N-Cyclopentyl-N'-1,2,3-thiadiazol-5-ylurea
CID 23044826
1-Butyl-3-(thiadiazol-5-yl)urea
CID 103279685
N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 107649832
1-Pent-4-ynyl-3-(thiadiazol-5-yl)urea
CID 118947614
1-(6-Sulfanylidenehexyl)-3-(thiadiazol-5-yl)urea
CID 118947621
1-(6-Sulfanylhexyl)-3-(thiadiazol-5-yl)urea
CID 118947622
1-(2-Ethylsulfanylethyl)-3-(thiadiazol-5-yl)urea
CID 118947627
1-(6-Bromohexyl)-3-(thiadiazol-5-yl)urea
CID 118947648
1-(6-Methylsulfanylhexyl)-3-(thiadiazol-5-yl)urea
CID 118947654
1-(2-Methylsulfanylethyl)-3-(thiadiazol-5-yl)urea
CID 118947655

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea?
The IUPAC name of 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea (CID 118947581) is 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea?
The canonical SMILES for 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea is CSCCCCCNC(=O)Nc1cnns1.
What is the InChIKey of 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea?
The InChIKey is NEIBRYJQAPNNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS2/c1-15-6-4-2-3-5-10-9(14)12-8-7-11-13-16-8/h7H,2-6H2,1H3,(H2,10,12,14).
What are the key properties of 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea?
1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea has a molecular weight of 260.39 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfanylpentyl)-3-(thiadiazol-5-yl)urea is sourced from PubChem (CID 118947581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).