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

C9H11N3OS2 — CID 84587259

IUPAC2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1nnc(CSCc2cnc(C)s2)o1
InChIInChI=1S/C9H11N3OS2/c1-6-11-12-9(13-6)5-14-4-8-3-10-7(2)15-8/h3H,4-5H2,1-2H3
InChIKeySRAMVZNTTYOFQJ-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.58
Rot. Bonds4

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

2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 84587259) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
PubChem CID84587259
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1nnc(CSCc2cnc(C)s2)o1
InChIInChI=1S/C9H11N3OS2/c1-6-11-12-9(13-6)5-14-4-8-3-10-7(2)15-8/h3H,4-5H2,1-2H3
InChIKeySRAMVZNTTYOFQJ-UHFFFAOYSA-N
XLogP2.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole (CID 84587259) is 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole is Cc1nnc(CSCc2cnc(C)s2)o1.
What is the InChIKey of 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is SRAMVZNTTYOFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-6-11-12-9(13-6)5-14-4-8-3-10-7(2)15-8/h3H,4-5H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole?
2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 241.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 84587259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).