TGN-020

CAT: 0127-BUP13280-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP13280-01Size:25 mg

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CAS Number

51987-99-6

Synonyms

TGN020

Purity

=98%

Smiles

O=C(Nc1nncs1)c1cccnc1

Chemical Information

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

CAS Number	51987-99-6
PubChem CID	4173511
IUPAC Name	N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
Molecular Formula	C8H6N4OS
Molecular Weight	206.23
XLogP	0.5
Topological Polar Surface Area	96
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	214

SMILES

C1=CC(=CN=C1)C(=O)NC2=NN=CS2

InChI

InChI=1S/C8H6N4OS/c13-7(6-2-1-3-9-4-6)11-8-12-10-5-14-8/h1-5H,(H,11,12,13)

InChIKey

AGEGZHOPKZFKBP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 51987-99-6

CID: 4173511

Formula: C8H6N4OS

MW: 206.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	206.23
XLogP3	0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	206.02623200
Monoisotopic Mass	206.02623200
Topological Polar Surface Area	96 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	214
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes