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

C15H10N2O2S — CID 56687986

IUPAC(5-phenyl-1,2,4-thiadiazol-3-yl) benzoate
SMILESO=C(Oc1nsc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H10N2O2S/c18-14(12-9-5-2-6-10-12)19-15-16-13(20-17-15)11-7-3-1-4-8-11/h1-10H
InChIKeyFZEBLDYGVOIFIE-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.42
Rot. Bonds3

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

(5-phenyl-1,2,4-thiadiazol-3-yl) benzoate (PubChem CID 56687986) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate.

Molecular Properties

Compound Name(5-phenyl-1,2,4-thiadiazol-3-yl) benzoate
PubChem CID56687986
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name(5-phenyl-1,2,4-thiadiazol-3-yl) benzoate
SMILESO=C(Oc1nsc(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C15H10N2O2S/c18-14(12-9-5-2-6-10-12)19-15-16-13(20-17-15)11-7-3-1-4-8-11/h1-10H
InChIKeyFZEBLDYGVOIFIE-UHFFFAOYSA-N
XLogP3.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 5-(4-ethoxycarbonylphenyl)-1,2,4-thiadiazole-3-carboxylate
CID 12351256
[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl] benzoate
CID 174639144
4-(1,2,4-Thiadiazol-5-yl)benzoic acid
CID 18617468
Methyl 4-(1,2,4-thiadiazol-3-yl)benzoate
CID 18698796
Ethyl 3-[3-(4-isopropylphenyl)-[1,2,4]thiadiazol-5-yl]benzoate
CID 53628478
Methyl 4-(5-amino-1,2,4-thiadiazol-3-yl)benzoate
CID 57272457
Methyl 3-[5-(4-isopropylphenyl)-[1,2,4]thiadiazol-3-yl]benzoate
CID 67057291
Methyl 4-[5-(4-methylphenyl)sulfanyl-1,2,4-thiadiazol-3-yl]benzoate
CID 89907749
3-[3-(5-Phenyl-1,2,4-thiadiazol-3-yl)phenyl]benzoic acid
CID 118577314
Ethyl 4-(3-bromo-1,2,4-thiadiazol-5-yl)benzoate
CID 121414269
Ethyl 4-(3-bromo-1,2,4-thiadiazol-5-yl)-2-methylbenzoate
CID 132129739
Methyl 4-[(5-phenyl-1,2,4-thiadiazol-3-yl)amino]sulfanylbenzoate
CID 141544414

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate?
The IUPAC name of (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate (CID 56687986) is (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate.
What is the SMILES notation for (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate?
The canonical SMILES for (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate is O=C(Oc1nsc(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate?
The InChIKey is FZEBLDYGVOIFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c18-14(12-9-5-2-6-10-12)19-15-16-13(20-17-15)11-7-3-1-4-8-11/h1-10H.
What are the key properties of (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate?
(5-phenyl-1,2,4-thiadiazol-3-yl) benzoate has a molecular weight of 282.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2,4-thiadiazol-3-yl) benzoate is sourced from PubChem (CID 56687986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).