3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole

C10H7BrN4OS4 — CID 47321899

IUPAC3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCSc1nnc(SCc2nc(-c3cc(Br)cs3)no2)s1
InChIInChI=1S/C10H7BrN4OS4/c1-17-9-13-14-10(20-9)19-4-7-12-8(15-16-7)6-2-5(11)3-18-6/h2-3H,4H2,1H3
InChIKeyYFFDYGUXALNCHK-UHFFFAOYSA-N
MW407.37 g/mol
LogP4.43
Rot. Bonds5

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

3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 47321899) has the molecular formula C10H7BrN4OS4 and a molecular weight of 407.37 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID47321899
Molecular FormulaC10H7BrN4OS4
Molecular Weight407.37 g/mol
Exact Mass405.87
IUPAC Name3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCSc1nnc(SCc2nc(-c3cc(Br)cs3)no2)s1
InChIInChI=1S/C10H7BrN4OS4/c1-17-9-13-14-10(20-9)19-4-7-12-8(15-16-7)6-2-5(11)3-18-6/h2-3H,4H2,1H3
InChIKeyYFFDYGUXALNCHK-UHFFFAOYSA-N
XLogP4.43
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

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-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,2,4-oxadiazole
CID 47321770
5-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 60541063
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
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]methyl-methylamino]acetamide
CID 47324014
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]butan-1-amine
CID 81073425
4-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340288
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106525506
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 79803721

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole (CID 47321899) is 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is CSc1nnc(SCc2nc(-c3cc(Br)cs3)no2)s1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is YFFDYGUXALNCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4OS4/c1-17-9-13-14-10(20-9)19-4-7-12-8(15-16-7)6-2-5(11)3-18-6/h2-3H,4H2,1H3.
What are the key properties of 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole?
3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 407.37 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-5-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47321899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).