1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

C13H16N4O2S — CID 881180

IUPAC1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C13H16N4O2S/c1-3-11-16-17-13(20-11)15-12(18)14-9-5-7-10(8-6-9)19-4-2/h5-8H,3-4H2,1-2H3,(H2,14,15,17,18)
InChIKeyJBANVODHIWHBNM-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 881180) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID881180
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
SMILESCCOc1ccc(NC(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C13H16N4O2S/c1-3-11-16-17-13(20-11)15-12(18)14-9-5-7-10(8-6-9)19-4-2/h5-8H,3-4H2,1-2H3,(H2,14,15,17,18)
InChIKeyJBANVODHIWHBNM-UHFFFAOYSA-N
XLogP3.14
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea (CID 881180) is 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is CCOc1ccc(NC(=O)Nc2nnc(CC)s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is JBANVODHIWHBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-3-11-16-17-13(20-11)15-12(18)14-9-5-7-10(8-6-9)19-4-2/h5-8H,3-4H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea?
1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 292.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 881180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).