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

C11H10FN3O2S2 — CID 2474290

IUPAC(4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESNc1nnc(SCC(=O)OCc2ccc(F)cc2)s1
InChIInChI=1S/C11H10FN3O2S2/c12-8-3-1-7(2-4-8)5-17-9(16)6-18-11-15-14-10(13)19-11/h1-4H,5-6H2,(H2,13,14)
InChIKeyGKKWEPRZAJKSKF-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.09
Rot. Bonds5

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

(4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (PubChem CID 2474290) has the molecular formula C11H10FN3O2S2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
PubChem CID2474290
Molecular FormulaC11H10FN3O2S2
Molecular Weight299.35 g/mol
Exact Mass299.02
IUPAC Name(4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
SMILESNc1nnc(SCC(=O)OCc2ccc(F)cc2)s1
InChIInChI=1S/C11H10FN3O2S2/c12-8-3-1-7(2-4-8)5-17-9(16)6-18-11-15-14-10(13)19-11/h1-4H,5-6H2,(H2,13,14)
InChIKeyGKKWEPRZAJKSKF-UHFFFAOYSA-N
XLogP2.09
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoate
CID 977678
(4-Cyanophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 2473993
Benzyl [(5-amino-1,3,4-thiadiazol-2-yl)thio]acetate
CID 2475399
Ethyl 2-{[5-({[(4-fluorobenzyl)oxy]carbonyl}amino)-1,3,4-thiadiazol-2-yl]sulfanyl}acetate
CID 3285727
5-((4-Fluorobenzyl)oxy)-1,3,4-thiadiazol-2-amine
CID 155342610
5-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 5167970
(2-Fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate
CID 24079229
Methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-5-fluorobenzoate
CID 60248832
Methyl 4-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-fluorobenzoate
CID 113254617
5-[2-(4-Fluorophenyl)-2-methoxyethyl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 145880252
5-Amino-2-benzyloxy-1,3,4-thiadiazole
CID 13603543
Benzyl 5-amino-1,3,4-thiadiazole-2-carboxylate
CID 69693505

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The IUPAC name of (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate (CID 2474290) is (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate.
What is the SMILES notation for (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The canonical SMILES for (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is Nc1nnc(SCC(=O)OCc2ccc(F)cc2)s1.
What is the InChIKey of (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
The InChIKey is GKKWEPRZAJKSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S2/c12-8-3-1-7(2-4-8)5-17-9(16)6-18-11-15-14-10(13)19-11/h1-4H,5-6H2,(H2,13,14).
What are the key properties of (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate?
(4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate has a molecular weight of 299.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetate is sourced from PubChem (CID 2474290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).