2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole

C6H10N2S2 — CID 130652451

IUPAC2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
SMILESCCc1nnc(CSC)s1
InChIInChI=1S/C6H10N2S2/c1-3-5-7-8-6(10-5)4-9-2/h3-4H2,1-2H3
InChIKeyCYKGNSHVTUOWQX-UHFFFAOYSA-N
MW174.29 g/mol
LogP1.96
Rot. Bonds3

About 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole

2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole (PubChem CID 130652451) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
PubChem CID130652451
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
SMILESCCc1nnc(CSC)s1
InChIInChI=1S/C6H10N2S2/c1-3-5-7-8-6(10-5)4-9-2/h3-4H2,1-2H3
InChIKeyCYKGNSHVTUOWQX-UHFFFAOYSA-N
XLogP1.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole
CID 89302858
2-(chloromethylsulfanyl)-5-ethyl-1,3,4-thiadiazole
CID 58430407
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-methoxymethanamine
CID 131224371
5-[4-(5-ethyl-1,3,4-thiadiazol-2-yl)butyl]-1,3,4-thiadiazol-2-amine
CID 123706975
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
CID 142566157
2-ethyl-5-(methylsulfanylmethyl)thiophene
CID 54083779
N-(5-ethyl-1,3,4-thiadiazol-2-yl)formamide
CID 3846618
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
1,3,5-triethyl-2,4,6-tris(methylsulfanylmethyl)benzene
CID 101101592
4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429231
2-[(6-chloropyridazin-3-yl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 75417746

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole (CID 130652451) is 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole is CCc1nnc(CSC)s1.
What is the InChIKey of 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole?
The InChIKey is CYKGNSHVTUOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-3-5-7-8-6(10-5)4-9-2/h3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole?
2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole has a molecular weight of 174.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(methylsulfanylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130652451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).