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

C10H8N4OS3 — CID 2562819

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1nnc(SCc2nnc(-c3cccs3)o2)s1
InChIInChI=1S/C10H8N4OS3/c1-6-11-14-10(18-6)17-5-8-12-13-9(15-8)7-3-2-4-16-7/h2-4H,5H2,1H3
InChIKeyGREWAFZMZAVBIC-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.25
Rot. Bonds4

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 2562819) has the molecular formula C10H8N4OS3 and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID2562819
Molecular FormulaC10H8N4OS3
Molecular Weight296.40 g/mol
Exact Mass295.99
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCc1nnc(SCc2nnc(-c3cccs3)o2)s1
InChIInChI=1S/C10H8N4OS3/c1-6-11-14-10(18-6)17-5-8-12-13-9(15-8)7-3-2-4-16-7/h2-4H,5H2,1H3
InChIKeyGREWAFZMZAVBIC-UHFFFAOYSA-N
XLogP3.25
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 2562819) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is Cc1nnc(SCc2nnc(-c3cccs3)o2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is GREWAFZMZAVBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS3/c1-6-11-14-10(18-6)17-5-8-12-13-9(15-8)7-3-2-4-16-7/h2-4H,5H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 296.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 2562819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).