5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole

C11H8N2OS3 — CID 141025711

IUPAC5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCSc1sccc1-c1nc(-c2ccno2)cs1
InChIInChI=1S/C11H8N2OS3/c1-15-11-7(3-5-16-11)10-13-8(6-17-10)9-2-4-12-14-9/h2-6H,1H3
InChIKeyFWWJWKWRRKAGAL-UHFFFAOYSA-N
MW280.40 g/mol
LogP4.25
Rot. Bonds3

About 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole

5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole (PubChem CID 141025711) has the molecular formula C11H8N2OS3 and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole
PubChem CID141025711
Molecular FormulaC11H8N2OS3
Molecular Weight280.40 g/mol
Exact Mass279.98
IUPAC Name5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole
SMILESCSc1sccc1-c1nc(-c2ccno2)cs1
InChIInChI=1S/C11H8N2OS3/c1-15-11-7(3-5-16-11)10-13-8(6-17-10)9-2-4-12-14-9/h2-6H,1H3
InChIKeyFWWJWKWRRKAGAL-UHFFFAOYSA-N
XLogP4.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole?
The IUPAC name of 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole (CID 141025711) is 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole.
What is the SMILES notation for 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole?
The canonical SMILES for 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole is CSc1sccc1-c1nc(-c2ccno2)cs1.
What is the InChIKey of 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole?
The InChIKey is FWWJWKWRRKAGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2OS3/c1-15-11-7(3-5-16-11)10-13-8(6-17-10)9-2-4-12-14-9/h2-6H,1H3.
What are the key properties of 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole?
5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole has a molecular weight of 280.40 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylsulfanylthiophen-3-yl)-1,3-thiazol-4-yl]-1,2-oxazole is sourced from PubChem (CID 141025711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).