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

C16H14N4O2S — CID 10711230

IUPAC1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H14N4O2S/c1-22-13-10-6-5-9-12(13)17-15(21)19-16-18-14(20-23-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeyOQQPLVWSKSEXGZ-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.86
Rot. Bonds4

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

1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 10711230) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID10711230
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESCOc1ccccc1NC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C16H14N4O2S/c1-22-13-10-6-5-9-12(13)17-15(21)19-16-18-14(20-23-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19,20,21)
InChIKeyOQQPLVWSKSEXGZ-UHFFFAOYSA-N
XLogP3.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 10711230) is 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is COc1ccccc1NC(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is OQQPLVWSKSEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2S/c1-22-13-10-6-5-9-12(13)17-15(21)19-16-18-14(20-23-16)11-7-3-2-4-8-11/h2-10H,1H3,(H2,17,18,19,20,21).
What are the key properties of 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 326.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 10711230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).