2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole

C11H9N3OS4 — CID 19554531

IUPAC2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCSc1nsc(SC)c1-c1nnc(-c2cccs2)o1
InChIInChI=1S/C11H9N3OS4/c1-16-10-7(11(17-2)19-14-10)9-13-12-8(15-9)6-4-3-5-18-6/h3-5H,1-2H3
InChIKeyBMTFLQSNWCRCKO-UHFFFAOYSA-N
MW327.48 g/mol
LogP4.37
Rot. Bonds4

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

2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 19554531) has the molecular formula C11H9N3OS4 and a molecular weight of 327.48 g/mol. Its IUPAC name is 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID19554531
Molecular FormulaC11H9N3OS4
Molecular Weight327.48 g/mol
Exact Mass326.96
IUPAC Name2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESCSc1nsc(SC)c1-c1nnc(-c2cccs2)o1
InChIInChI=1S/C11H9N3OS4/c1-16-10-7(11(17-2)19-14-10)9-13-12-8(15-9)6-4-3-5-18-6/h3-5H,1-2H3
InChIKeyBMTFLQSNWCRCKO-UHFFFAOYSA-N
XLogP4.37
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole with MolForge

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Related Compounds

ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
CID 51401385
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
2-methylsulfanyl-3-thiophen-2-ylpyrazine
CID 123525610
2-(1-methylindol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 857000
2-(4-bromo-1,5-dimethylpyrazol-3-yl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19582981
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
CID 66218968
N-ethyl-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethanamine
CID 60661957
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
[(1R)-1-(furan-2-yl)ethyl]-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]azanium
CID 8921906

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole (CID 19554531) is 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is CSc1nsc(SC)c1-c1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is BMTFLQSNWCRCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS4/c1-16-10-7(11(17-2)19-14-10)9-13-12-8(15-9)6-4-3-5-18-6/h3-5H,1-2H3.
What are the key properties of 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole?
2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 327.48 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(methylsulfanyl)-1,2-thiazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 19554531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).