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

C6H7FN2O2S2 — CID 11831021

IUPACmethyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)C(F)Sc1nnc(C)s1
InChIInChI=1S/C6H7FN2O2S2/c1-3-8-9-6(12-3)13-4(7)5(10)11-2/h4H,1-2H3
InChIKeyFTNDRKIUSLVIBZ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.41
Rot. Bonds3

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

methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (PubChem CID 11831021) has the molecular formula C6H7FN2O2S2 and a molecular weight of 222.27 g/mol. Its IUPAC name is methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
PubChem CID11831021
Molecular FormulaC6H7FN2O2S2
Molecular Weight222.27 g/mol
Exact Mass221.99
IUPAC Namemethyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESCOC(=O)C(F)Sc1nnc(C)s1
InChIInChI=1S/C6H7FN2O2S2/c1-3-8-9-6(12-3)13-4(7)5(10)11-2/h4H,1-2H3
InChIKeyFTNDRKIUSLVIBZ-UHFFFAOYSA-N
XLogP1.41
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 3170095
methyl 2-bromo-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 81092372
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23942509
methyl 2-[[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate
CID 23006984
methyl 2-acetamido-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoate
CID 65442411
methyl (Z)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]prop-2-enoate
CID 162412991
2-methyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]butanoic acid
CID 79391151
(2R)-N-tert-butyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 40705970
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95902307
ethyl 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-phenylacetate
CID 103599961
ethyl 2-(ethylamino)-2-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pentanoate
CID 64710521
N-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 18777406

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CID 11831021) is methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is COC(=O)C(F)Sc1nnc(C)s1.
What is the InChIKey of methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The InChIKey is FTNDRKIUSLVIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O2S2/c1-3-8-9-6(12-3)13-4(7)5(10)11-2/h4H,1-2H3.
What are the key properties of methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has a molecular weight of 222.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 11831021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).