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

C14H12N4O2S2 — CID 881214

IUPAC1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nnc(-c3cccs3)s2)cc1
InChIInChI=1S/C14H12N4O2S2/c1-20-10-6-4-9(5-7-10)15-13(19)16-14-18-17-12(22-14)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,18,19)
InChIKeyZAEZQYFMFOLOLR-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.92
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 881214) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
PubChem CID881214
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC Name1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea
SMILESCOc1ccc(NC(=O)Nc2nnc(-c3cccs3)s2)cc1
InChIInChI=1S/C14H12N4O2S2/c1-20-10-6-4-9(5-7-10)15-13(19)16-14-18-17-12(22-14)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,18,19)
InChIKeyZAEZQYFMFOLOLR-UHFFFAOYSA-N
XLogP3.92
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea (CID 881214) is 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea is COc1ccc(NC(=O)Nc2nnc(-c3cccs3)s2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is ZAEZQYFMFOLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-20-10-6-4-9(5-7-10)15-13(19)16-14-18-17-12(22-14)11-3-2-8-21-11/h2-8H,1H3,(H2,15,16,18,19).
What are the key properties of 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea?
1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 332.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 881214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).