methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate

C7H10N2O2S3 — CID 20646299

IUPACmethyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
SMILESCOC(=O)C(C)Sc1nnc(SC)s1
InChIInChI=1S/C7H10N2O2S3/c1-4(5(10)11-2)13-7-9-8-6(12-3)14-7/h4H,1-3H3
InChIKeyUVNDQTWZQCRGOK-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.91
Rot. Bonds4

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

methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate (PubChem CID 20646299) has the molecular formula C7H10N2O2S3 and a molecular weight of 250.37 g/mol. Its IUPAC name is methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
PubChem CID20646299
Molecular FormulaC7H10N2O2S3
Molecular Weight250.37 g/mol
Exact Mass249.99
IUPAC Namemethyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
SMILESCOC(=O)C(C)Sc1nnc(SC)s1
InChIInChI=1S/C7H10N2O2S3/c1-4(5(10)11-2)13-7-9-8-6(12-3)14-7/h4H,1-3H3
InChIKeyUVNDQTWZQCRGOK-UHFFFAOYSA-N
XLogP1.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate with MolForge

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Related Compounds

Methyl 2-{5-[(methoxycarbonyl)ethylthio]-1,3,4-thiadiazol-2-ylthio}propanoate
CID 658413
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
S,S'-(1,3,4-thiadiazole-2,5-diyl)bis(2-mercaptopropionic acid)
CID 21298329
S-(5-(Butylthio)-1,3,4-thiadiazol-2-yl) O-ethyl thiocarbonate
CID 75122
Ethyl 2-fluoro-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 115382638
Acetic acid, 2,2'-[1,3,4-thiadiazole-2,5-diylbis(thio)]bis-, diethyl ester
CID 1893512
Silver 2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 21562055
Methyl 2-(1,3,4-thiadiazol-2-ylsulfanyl)acetate
CID 23006932
Methyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 23006934
Methyl 3-[(5-chlorosulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 23048329
Ethyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 23514857

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate?
The IUPAC name of methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate (CID 20646299) is methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate.
What is the SMILES notation for methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate?
The canonical SMILES for methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate is COC(=O)C(C)Sc1nnc(SC)s1.
What is the InChIKey of methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate?
The InChIKey is UVNDQTWZQCRGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S3/c1-4(5(10)11-2)13-7-9-8-6(12-3)14-7/h4H,1-3H3.
What are the key properties of methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate?
methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate has a molecular weight of 250.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate is sourced from PubChem (CID 20646299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).