3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole

C11H9N3OS3 — CID 47150485

IUPAC3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1csc(SCc2noc(-c3ccsc3)n2)n1
InChIInChI=1S/C11H9N3OS3/c1-7-4-17-11(12-7)18-6-9-13-10(15-14-9)8-2-3-16-5-8/h2-5H,6H2,1H3
InChIKeyNKHIYJFRSJHWPW-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.86
Rot. Bonds4

About 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole

3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 47150485) has the molecular formula C11H9N3OS3 and a molecular weight of 295.41 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID47150485
Molecular FormulaC11H9N3OS3
Molecular Weight295.41 g/mol
Exact Mass294.99
IUPAC Name3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole
SMILESCc1csc(SCc2noc(-c3ccsc3)n2)n1
InChIInChI=1S/C11H9N3OS3/c1-7-4-17-11(12-7)18-6-9-13-10(15-14-9)8-2-3-16-5-8/h2-5H,6H2,1H3
InChIKeyNKHIYJFRSJHWPW-UHFFFAOYSA-N
XLogP3.86
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole (CID 47150485) is 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole is Cc1csc(SCc2noc(-c3ccsc3)n2)n1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is NKHIYJFRSJHWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS3/c1-7-4-17-11(12-7)18-6-9-13-10(15-14-9)8-2-3-16-5-8/h2-5H,6H2,1H3.
What are the key properties of 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole?
3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 295.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 47150485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).