4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole

C12H6N10OS2 — CID 141074762

IUPAC4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole
SMILESc1cc(-c2nc(-c3conn3)c(-c3csnn3)n2-c2cn[nH]n2)ns1
InChIInChI=1S/C12H6N10OS2/c1-2-24-18-6(1)12-14-10(7-4-23-20-15-7)11(8-5-25-21-16-8)22(12)9-3-13-19-17-9/h1-5H,(H,13,17,19)
InChIKeyKWDPJSQRFGFKOC-UHFFFAOYSA-N
MW370.38 g/mol
LogP1.68
Rot. Bonds4

About 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole

4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole (PubChem CID 141074762) has the molecular formula C12H6N10OS2 and a molecular weight of 370.38 g/mol. Its IUPAC name is 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole.

Molecular Properties

Compound Name4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole
PubChem CID141074762
Molecular FormulaC12H6N10OS2
Molecular Weight370.38 g/mol
Exact Mass370.02
IUPAC Name4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole
SMILESc1cc(-c2nc(-c3conn3)c(-c3csnn3)n2-c2cn[nH]n2)ns1
InChIInChI=1S/C12H6N10OS2/c1-2-24-18-6(1)12-14-10(7-4-23-20-15-7)11(8-5-25-21-16-8)22(12)9-3-13-19-17-9/h1-5H,(H,13,17,19)
InChIKeyKWDPJSQRFGFKOC-UHFFFAOYSA-N
XLogP1.68
TPSA136.98 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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Related Compounds

4-[1-(1H-pyrrol-2-yl)-3-(2H-tetrazol-5-yl)-2-(thiadiazol-4-yl)-6-(1,2-thiazol-3-yl)-4-(2H-triazol-4-yl)-2H-pyridin-5-yl]oxadiazole
CID 141121728

Frequently Asked Questions

What is the IUPAC name of 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole?
The IUPAC name of 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole (CID 141074762) is 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole.
What is the SMILES notation for 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole?
The canonical SMILES for 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole is c1cc(-c2nc(-c3conn3)c(-c3csnn3)n2-c2cn[nH]n2)ns1.
What is the InChIKey of 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole?
The InChIKey is KWDPJSQRFGFKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N10OS2/c1-2-24-18-6(1)12-14-10(7-4-23-20-15-7)11(8-5-25-21-16-8)22(12)9-3-13-19-17-9/h1-5H,(H,13,17,19).
What are the key properties of 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole?
4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole has a molecular weight of 370.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(thiadiazol-4-yl)-2-(1,2-thiazol-3-yl)-1-(2H-triazol-4-yl)imidazol-4-yl]oxadiazole is sourced from PubChem (CID 141074762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).