N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide

C8H6N4OS2 — CID 11514219

IUPACN-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1n[nH]c(=S)s1)c1ccccn1
InChIInChI=1S/C8H6N4OS2/c13-6(5-3-1-2-4-9-5)10-7-11-12-8(14)15-7/h1-4H,(H,12,14)(H,10,11,13)
InChIKeyABEZJZDROHRGCF-UHFFFAOYSA-N
MW238.30 g/mol
LogP1.85
Rot. Bonds2

About N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide

N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide (PubChem CID 11514219) has the molecular formula C8H6N4OS2 and a molecular weight of 238.30 g/mol. Its IUPAC name is N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide
PubChem CID11514219
Molecular FormulaC8H6N4OS2
Molecular Weight238.30 g/mol
Exact Mass238.00
IUPAC NameN-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide
SMILESO=C(Nc1n[nH]c(=S)s1)c1ccccn1
InChIInChI=1S/C8H6N4OS2/c13-6(5-3-1-2-4-9-5)10-7-11-12-8(14)15-7/h1-4H,(H,12,14)(H,10,11,13)
InChIKeyABEZJZDROHRGCF-UHFFFAOYSA-N
XLogP1.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide (CID 11514219) is N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide is O=C(Nc1n[nH]c(=S)s1)c1ccccn1.
What is the InChIKey of N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide?
The InChIKey is ABEZJZDROHRGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4OS2/c13-6(5-3-1-2-4-9-5)10-7-11-12-8(14)15-7/h1-4H,(H,12,14)(H,10,11,13).
What are the key properties of N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide?
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide has a molecular weight of 238.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 11514219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).