2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

C9H7FN4O4S3 — CID 103298753

IUPAC2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(NS(=O)(=O)c2ncccc2F)s1
InChIInChI=1S/C9H7FN4O4S3/c10-5-2-1-3-11-7(5)21(17,18)14-8-12-13-9(20-8)19-4-6(15)16/h1-3H,4H2,(H,12,14)(H,15,16)
InChIKeyUXAQITHFWAPNQU-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.05
Rot. Bonds6

About 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid

2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 103298753) has the molecular formula C9H7FN4O4S3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
PubChem CID103298753
Molecular FormulaC9H7FN4O4S3
Molecular Weight350.38 g/mol
Exact Mass349.96
IUPAC Name2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
SMILESO=C(O)CSc1nnc(NS(=O)(=O)c2ncccc2F)s1
InChIInChI=1S/C9H7FN4O4S3/c10-5-2-1-3-11-7(5)21(17,18)14-8-12-13-9(20-8)19-4-6(15)16/h1-3H,4H2,(H,12,14)(H,15,16)
InChIKeyUXAQITHFWAPNQU-UHFFFAOYSA-N
XLogP1.05
TPSA122.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid with MolForge

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Related Compounds

2-[[5-[(5-Fluoro-3-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61784440
3-fluoro-N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
CID 103299156
3-fluoro-N-(2-methyltetrazol-5-yl)pyridine-2-sulfonamide
CID 103300305
3-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyridine-2-sulfonamide
CID 103300488
3-fluoro-N-(thiatriazol-5-yl)pyridine-2-sulfonamide
CID 103300535
3-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-2-sulfonamide
CID 106260683
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-fluoropyridine-2-sulfonamide
CID 107641599
N-(1,3,4-thiadiazol-2-yl)pyridine-2-sulfinamide
CID 141061607
2-[[5-[(2-Chloro-3-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283967
2-[[5-(Pyridin-3-ylsulfonylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61283970
2-[[5-[(5-Bromo-3-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 61796263

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid (CID 103298753) is 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is O=C(O)CSc1nnc(NS(=O)(=O)c2ncccc2F)s1.
What is the InChIKey of 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is UXAQITHFWAPNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O4S3/c10-5-2-1-3-11-7(5)21(17,18)14-8-12-13-9(20-8)19-4-6(15)16/h1-3H,4H2,(H,12,14)(H,15,16).
What are the key properties of 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 350.38 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(3-fluoro-2-pyridinyl)sulfonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 103298753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).