3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole

C9H5BrN4OS3 — CID 47321770

IUPAC3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESBrc1csc(-c2noc(CSc3nncs3)n2)c1
InChIInChI=1S/C9H5BrN4OS3/c10-5-1-6(16-2-5)8-12-7(15-14-8)3-17-9-13-11-4-18-9/h1-2,4H,3H2
InChIKeyJGEXOXNGFANCCM-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.70
Rot. Bonds4

About 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole

3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole (PubChem CID 47321770) has the molecular formula C9H5BrN4OS3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
PubChem CID47321770
Molecular FormulaC9H5BrN4OS3
Molecular Weight361.27 g/mol
Exact Mass359.88
IUPAC Name3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
SMILESBrc1csc(-c2noc(CSc3nncs3)n2)c1
InChIInChI=1S/C9H5BrN4OS3/c10-5-1-6(16-2-5)8-12-7(15-14-8)3-17-9-13-11-4-18-9/h1-2,4H,3H2
InChIKeyJGEXOXNGFANCCM-UHFFFAOYSA-N
XLogP3.70
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 47321899
3-(4-bromothiophen-2-yl)-5-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
CID 60541037
3-(4-bromothiophen-2-yl)-5-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 52709457
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3,4-oxadiazole
CID 52709512
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 55923619
5-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 60541063
3-[[5-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]thiolane 1,1-dioxide
CID 60541225
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]acetamide
CID 47324014
4-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340288
2-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073425
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106525506
3-(4-bromothiophen-2-yl)-5-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 60541148

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole (CID 47321770) is 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole is Brc1csc(-c2noc(CSc3nncs3)n2)c1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
The InChIKey is JGEXOXNGFANCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrN4OS3/c10-5-1-6(16-2-5)8-12-7(15-14-8)3-17-9-13-11-4-18-9/h1-2,4H,3H2.
What are the key properties of 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole?
3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole has a molecular weight of 361.27 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-5-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 47321770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).