1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one

1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one

CAS: 257862-97-8

Formula: C6H9N3OS

SMILES: CNC1=NC(CC(C)=O)=NS1

IUPAC: 1-[5-(methylamino)-1,2,4-thiadiazol-3-yl]propan-2-one

InChI: InChI=1S/C6H9N3OS/c1-4(10)3-5-8-6(7-2)11-9-5/h3H2,1-2H3,(H,7,8,9)

Composition: C (42.09%), H (5.30%), N (24.54%), O (9.34%), S (18.72%)

Molar Mass: 171.22

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.046633096
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OAGMZNVAKMLSPP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.27
Topological Polar Surface Area	54.88
Polarizability	15.92
Ring Count	1
Rotatable Bond Count	3

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