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2-amino-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

2-amino-4,5-dimethyl-N-(pyridin-3-ylmethyl)thiophene-3-carboxamide

CAS: 587851-05-6

Formula: C13H15N3OS

SMILES: CC1=C(C)C(C(=O)NCC2=CC=CN=C2)=C(N)S1

IUPAC: 2-amino-4,5-dimethyl-N-[(pyridin-3-yl)methyl]thiophene-3-carboxamide

InChI: InChI=1S/C13H15N3OS/c1-8-9(2)18-12(14)11(8)13(17)16-7-10-4-3-5-15-6-10/h3-6H,7,14H2,1-2H3,(H,16,17)

Composition: C (59.75%), H (5.79%), N (16.08%), O (6.12%), S (12.27%)

Molar Mass: 261.34

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 261.093583289
Formal Charge 0
FSP3 0.23
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JNHBYTTXAPPECX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.55
Topological Polar Surface Area 68.01
Polarizability 27.03
Ring Count 2
Rotatable Bond Count 3

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95% <2 Days 587851-05-6 $134.76$134.76
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