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

C8H6N4OS2 — CID 4178548

IUPACN-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(=S)s1)c1cccnc1
InChIInChI=1S/C8H6N4OS2/c13-6(5-2-1-3-9-4-5)10-7-11-12-8(14)15-7/h1-4H,(H,12,14)(H,10,11,13)
InChIKeyAPFKEGLTDXYNMP-UHFFFAOYSA-N
MW238.30 g/mol
LogP1.85
Rot. Bonds2

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

N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide (PubChem CID 4178548) 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-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
PubChem CID4178548
Molecular FormulaC8H6N4OS2
Molecular Weight238.30 g/mol
Exact Mass238.00
IUPAC NameN-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c(=S)s1)c1cccnc1
InChIInChI=1S/C8H6N4OS2/c13-6(5-2-1-3-9-4-5)10-7-11-12-8(14)15-7/h1-4H,(H,12,14)(H,10,11,13)
InChIKeyAPFKEGLTDXYNMP-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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Related Compounds

N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
CID 5051635
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-3-(trifluoromethyl)benzamide
CID 3307748
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380
N-[5-(methylamino)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 71416829
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 110756954
N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 82058091
N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 78928131
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)pyridine-3-carboxamide
CID 72719984
N-(5-ethyl-4-propyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 47064687
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 51102512
N-(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 14700265
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide (CID 4178548) is N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide is O=C(Nc1n[nH]c(=S)s1)c1cccnc1.
What is the InChIKey of N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-carboxamide?
The InChIKey is APFKEGLTDXYNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4OS2/c13-6(5-2-1-3-9-4-5)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-3-carboxamide?
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 4178548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).