3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole

C24H13N5O3S4 — CID 141001342

IUPAC3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole
SMILESc1coc(C2(c3ccon3)OC(c3nccs3)=C(c3ccsn3)C(c3csnn3)=C2c2cccs2)c1
InChIInChI=1S/C24H13N5O3S4/c1-4-18(30-8-1)24(17-5-9-31-27-17)21(16-3-2-10-33-16)19(15-13-36-29-26-15)20(14-6-11-35-28-14)22(32-24)23-25-7-12-34-23/h1-13H
InChIKeyLENDZSOXHWZHBL-UHFFFAOYSA-N
MW547.67 g/mol
LogP6.55
Rot. Bonds6

About 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole

3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole (PubChem CID 141001342) has the molecular formula C24H13N5O3S4 and a molecular weight of 547.67 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole
PubChem CID141001342
Molecular FormulaC24H13N5O3S4
Molecular Weight547.67 g/mol
Exact Mass546.99
IUPAC Name3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole
SMILESc1coc(C2(c3ccon3)OC(c3nccs3)=C(c3ccsn3)C(c3csnn3)=C2c2cccs2)c1
InChIInChI=1S/C24H13N5O3S4/c1-4-18(30-8-1)24(17-5-9-31-27-17)21(16-3-2-10-33-16)19(15-13-36-29-26-15)20(14-6-11-35-28-14)22(32-24)23-25-7-12-34-23/h1-13H
InChIKeyLENDZSOXHWZHBL-UHFFFAOYSA-N
XLogP6.55
TPSA99.96 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500547.67
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole with MolForge

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Related Compounds

4-[5-(1,2-Oxazol-3-yl)-2-(1,3-oxazol-2-yl)-4-(thiadiazol-4-yl)-3-(1,3-thiazol-2-yl)-2-thiophen-2-ylfuran-3-yl]oxadiazole
CID 141010635

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole?
The IUPAC name of 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole (CID 141001342) is 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole?
The canonical SMILES for 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole is c1coc(C2(c3ccon3)OC(c3nccs3)=C(c3ccsn3)C(c3csnn3)=C2c2cccs2)c1.
What is the InChIKey of 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole?
The InChIKey is LENDZSOXHWZHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13N5O3S4/c1-4-18(30-8-1)24(17-5-9-31-27-17)21(16-3-2-10-33-16)19(15-13-36-29-26-15)20(14-6-11-35-28-14)22(32-24)23-25-7-12-34-23/h1-13H.
What are the key properties of 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole?
3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole has a molecular weight of 547.67 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)-4-(thiadiazol-4-yl)-5-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)-3-thiophen-2-ylpyran-2-yl]-1,2-oxazole is sourced from PubChem (CID 141001342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).