1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea

C12H14N4O2S2 — CID 3779520

IUPAC1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea
SMILESCCSc1nsc(NC(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C12H14N4O2S2/c1-3-19-12-15-11(20-16-12)14-10(17)13-8-6-4-5-7-9(8)18-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyLLBWZMUUHIXAGA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.30
Rot. Bonds5

About 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea

1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea (PubChem CID 3779520) has the molecular formula C12H14N4O2S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea
PubChem CID3779520
Molecular FormulaC12H14N4O2S2
Molecular Weight310.40 g/mol
Exact Mass310.06
IUPAC Name1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea
SMILESCCSc1nsc(NC(=O)Nc2ccccc2OC)n1
InChIInChI=1S/C12H14N4O2S2/c1-3-19-12-15-11(20-16-12)14-10(17)13-8-6-4-5-7-9(8)18-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16,17)
InChIKeyLLBWZMUUHIXAGA-UHFFFAOYSA-N
XLogP3.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea (CID 3779520) is 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea is CCSc1nsc(NC(=O)Nc2ccccc2OC)n1.
What is the InChIKey of 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is LLBWZMUUHIXAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S2/c1-3-19-12-15-11(20-16-12)14-10(17)13-8-6-4-5-7-9(8)18-2/h4-7H,3H2,1-2H3,(H2,13,14,15,16,17).
What are the key properties of 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea?
1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 310.40 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylsulfanyl-1,2,4-thiadiazol-5-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 3779520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).