3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide

C11H8N4O2S — CID 107523313

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnns1)c1ncccc1C#CCO
InChIInChI=1S/C11H8N4O2S/c16-6-2-4-8-3-1-5-12-10(8)11(17)14-9-7-13-15-18-9/h1,3,5,7,16H,6H2,(H,14,17)
InChIKeyDPTNNSAQZWZKRL-UHFFFAOYSA-N
MW260.28 g/mol
LogP0.53
Rot. Bonds2

About 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide

3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide (PubChem CID 107523313) has the molecular formula C11H8N4O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide
PubChem CID107523313
Molecular FormulaC11H8N4O2S
Molecular Weight260.28 g/mol
Exact Mass260.04
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cnns1)c1ncccc1C#CCO
InChIInChI=1S/C11H8N4O2S/c16-6-2-4-8-3-1-5-12-10(8)11(17)14-9-7-13-15-18-9/h1,3,5,7,16H,6H2,(H,14,17)
InChIKeyDPTNNSAQZWZKRL-UHFFFAOYSA-N
XLogP0.53
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide (CID 107523313) is 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide is O=C(Nc1cnns1)c1ncccc1C#CCO.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is DPTNNSAQZWZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2S/c16-6-2-4-8-3-1-5-12-10(8)11(17)14-9-7-13-15-18-9/h1,3,5,7,16H,6H2,(H,14,17).
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide?
3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 260.28 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(thiadiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107523313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).