3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

C9H7N3O2S2 — CID 63099626

IUPAC3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1CSc1nncs1
InChIInChI=1S/C9H7N3O2S2/c13-8(14)7-6(2-1-3-10-7)4-15-9-12-11-5-16-9/h1-3,5H,4H2,(H,13,14)
InChIKeyKMINONNBIDAEPI-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.92
Rot. Bonds4

About 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid

3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid (PubChem CID 63099626) has the molecular formula C9H7N3O2S2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
PubChem CID63099626
Molecular FormulaC9H7N3O2S2
Molecular Weight253.31 g/mol
Exact Mass253.00
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1CSc1nncs1
InChIInChI=1S/C9H7N3O2S2/c13-8(14)7-6(2-1-3-10-7)4-15-9-12-11-5-16-9/h1-3,5H,4H2,(H,13,14)
InChIKeyKMINONNBIDAEPI-UHFFFAOYSA-N
XLogP1.92
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid (CID 63099626) is 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid is O=C(O)c1ncccc1CSc1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
The InChIKey is KMINONNBIDAEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2S2/c13-8(14)7-6(2-1-3-10-7)4-15-9-12-11-5-16-9/h1-3,5H,4H2,(H,13,14).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid?
3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid has a molecular weight of 253.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 63099626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).