1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea

C15H14N4O3S — CID 1335408

IUPAC1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1
InChIInChI=1S/C15H14N4O3S/c1-2-21-11-7-5-10(6-8-11)16-14(20)17-15-19-18-13(23-15)12-4-3-9-22-12/h3-9H,2H2,1H3,(H2,16,17,19,20)
InChIKeyNZDWBPYPBMEJME-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.84
Rot. Bonds5

About 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea

1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea (PubChem CID 1335408) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
PubChem CID1335408
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Name1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
SMILESCCOc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1
InChIInChI=1S/C15H14N4O3S/c1-2-21-11-7-5-10(6-8-11)16-14(20)17-15-19-18-13(23-15)12-4-3-9-22-12/h3-9H,2H2,1H3,(H2,16,17,19,20)
InChIKeyNZDWBPYPBMEJME-UHFFFAOYSA-N
XLogP3.84
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea (CID 1335408) is 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea is CCOc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
The InChIKey is NZDWBPYPBMEJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-2-21-11-7-5-10(6-8-11)16-14(20)17-15-19-18-13(23-15)12-4-3-9-22-12/h3-9H,2H2,1H3,(H2,16,17,19,20).
What are the key properties of 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea?
1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea has a molecular weight of 330.37 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea is sourced from PubChem (CID 1335408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).