methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate

C5H6N2O2S2 — CID 23006932

IUPACmethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
SMILESCOC(=O)CSc1nncs1
InChIInChI=1S/C5H6N2O2S2/c1-9-4(8)2-10-5-7-6-3-11-5/h3H,2H2,1H3
InChIKeyRIYSCRWJCPPLKJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.80
Rot. Bonds3

About methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate

methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate (PubChem CID 23006932) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
PubChem CID23006932
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Namemethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
SMILESCOC(=O)CSc1nncs1
InChIInChI=1S/C5H6N2O2S2/c1-9-4(8)2-10-5-7-6-3-11-5/h3H,2H2,1H3
InChIKeyRIYSCRWJCPPLKJ-UHFFFAOYSA-N
XLogP0.80
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3,4-Thiadiazol-2-ylsulfanyl)acetic acid
CID 12634693
2-(1,3,4-Thiadiazol-2-ylsulfanyl)propanoic acid
CID 16788783
Methyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 12474599
Acetic acid, 2,2'-[1,3,4-thiadiazole-2,5-diylbis(thio)]bis-, dimethyl ester
CID 1610958
Ethyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
CID 19839125
Ethyl 2-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
CID 79357237
Methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 20646299
Ethyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 23514857
Ethyl 3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 43242914
Methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoate
CID 23006933
(2R)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
CID 30104271
(2S)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propanoic acid
CID 30104275

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate?
The IUPAC name of methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate (CID 23006932) is methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate.
What is the SMILES notation for methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate?
The canonical SMILES for methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate is COC(=O)CSc1nncs1.
What is the InChIKey of methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate?
The InChIKey is RIYSCRWJCPPLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c1-9-4(8)2-10-5-7-6-3-11-5/h3H,2H2,1H3.
What are the key properties of methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate?
methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate has a molecular weight of 190.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate is sourced from PubChem (CID 23006932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).