methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate

C11H9FN2O2S2 — CID 1473994

IUPACmethyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate
SMILESCOC(=O)CSc1snnc1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2S2/c1-16-9(15)6-17-11-10(13-14-18-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3
InChIKeyABAVBARCMSIZSV-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.61
Rot. Bonds4

About methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate

methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate (PubChem CID 1473994) has the molecular formula C11H9FN2O2S2 and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate
PubChem CID1473994
Molecular FormulaC11H9FN2O2S2
Molecular Weight284.34 g/mol
Exact Mass284.01
IUPAC Namemethyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate
SMILESCOC(=O)CSc1snnc1-c1ccc(F)cc1
InChIInChI=1S/C11H9FN2O2S2/c1-16-9(15)6-17-11-10(13-14-18-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3
InChIKeyABAVBARCMSIZSV-UHFFFAOYSA-N
XLogP2.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate?
The IUPAC name of methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate (CID 1473994) is methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate is COC(=O)CSc1snnc1-c1ccc(F)cc1.
What is the InChIKey of methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate?
The InChIKey is ABAVBARCMSIZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S2/c1-16-9(15)6-17-11-10(13-14-18-11)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate?
methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate has a molecular weight of 284.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-fluorophenyl)thiadiazol-5-yl]sulfanylacetate is sourced from PubChem (CID 1473994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).