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303162-39-2 | 2-Pyridinamine, 4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-
CAS No: 303162-39-2 Catalog No: AG002ZO4 MDL No:
Product Description
Catalog Number:
AG002ZO4
Chemical Name:
2-Pyridinamine, 4-[2-ethyl-4-(3-methylphenyl)-5-thiazolyl]-
CAS Number:
303162-39-2
Molecular Formula:
C17H17N3S
Molecular Weight:
295.4020
IUPAC Name:
4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
InChI:
InChI=1S/C17H17N3S/c1-3-15-20-16(12-6-4-5-11(2)9-12)17(21-15)13-7-8-19-14(18)10-13/h4-10H,3H2,1-2H3,(H2,18,19)
InChI Key:
VMHXXKMCQDJJSH-UHFFFAOYSA-N
SMILES:
CCc1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)N
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.404g/mol
Monoisotopic Mass:
295.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Novel inhibitor of p38 MAP kinase as an anti-TNF-alpha drug: discovery of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridyl]benzamide (TAK-715) as a potent and orally active anti-rheumatoid arthritis agent. | Journal of medicinal chemistry 20050922 |
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