methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

C5H7N3O2S2 — CID 7784001

IUPACmethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(N)s1
InChIInChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7)
InChIKeyASSFIPIQXCHMOD-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.39
Rot. Bonds3

About methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate

methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (PubChem CID 7784001) has the molecular formula C5H7N3O2S2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
PubChem CID7784001
Molecular FormulaC5H7N3O2S2
Molecular Weight205.26 g/mol
Exact Mass205.00
IUPAC Namemethyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)CSc1nnc(N)s1
InChIInChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7)
InChIKeyASSFIPIQXCHMOD-UHFFFAOYSA-N
XLogP0.39
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[(5-amino-1,3-thiazol-2-yl)sulfanyl]acetate
CID 102770260
methyl (E)-4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-enoate
CID 71670131
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 23904590
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-butylacetamide
CID 4805002
methyl (2R)-2-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-2-phenylacetate
CID 7321600
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 40629979
methyl 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 853220
methyl 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2589094
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]acetamide
CID 24659819
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 17393461
[2-(2-carbamoylanilino)-2-oxoethyl] 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 23850710
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-(3,5-dimethoxyphenyl)ethyl]acetamide
CID 46997951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CID 7784001) is methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is COC(=O)CSc1nnc(N)s1.
What is the InChIKey of methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The InChIKey is ASSFIPIQXCHMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S2/c1-10-3(9)2-11-5-8-7-4(6)12-5/h2H2,1H3,(H2,6,7).
What are the key properties of methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has a molecular weight of 205.26 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 7784001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).