3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C17H17F3N4O2S — CID 56699908

IUPAC3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(CC(C)C)cc(C(F)(F)F)c3c2N)no1
InChIInChI=1S/C17H17F3N4O2S/c1-7(2)4-9-6-10(17(18,19)20)12-13(21)14(27-16(12)22-9)15(25)23-11-5-8(3)26-24-11/h5-7H,4,21H2,1-3H3,(H,23,24,25)
InChIKeyXUWKXJMEADWXEM-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.64
Rot. Bonds4

About 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 56699908) has the molecular formula C17H17F3N4O2S and a molecular weight of 398.41 g/mol. Its IUPAC name is 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID56699908
Molecular FormulaC17H17F3N4O2S
Molecular Weight398.41 g/mol
Exact Mass398.10
IUPAC Name3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2sc3nc(CC(C)C)cc(C(F)(F)F)c3c2N)no1
InChIInChI=1S/C17H17F3N4O2S/c1-7(2)4-9-6-10(17(18,19)20)12-13(21)14(27-16(12)22-9)15(25)23-11-5-8(3)26-24-11/h5-7H,4,21H2,1-3H3,(H,23,24,25)
InChIKeyXUWKXJMEADWXEM-UHFFFAOYSA-N
XLogP4.64
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 15994595
3-amino-4-methyl-6-(2-methylpropyl)thieno[2,3-b]pyridine-2-carboxamide
CID 10038414
3-amino-N-(2,2-diphenylethyl)-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide;ethyl 3-amino-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 162143231
3-amino-6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048212
4-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 31861302
3-amino-N-benzyl-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 69232830
6-amino-8-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
CID 1201903
3-amino-4-cyano-N-(5-methyl-1,2-oxazol-3-yl)-5-(propan-2-ylamino)thiophene-2-carboxamide
CID 47000856
[4-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]phenyl]-[3-amino-6-methyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]methanone
CID 3492281
4,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 17420732
3-amino-6-methyl-N-[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23102222
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2254947

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 56699908) is 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1cc(NC(=O)c2sc3nc(CC(C)C)cc(C(F)(F)F)c3c2N)no1.
What is the InChIKey of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is XUWKXJMEADWXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2S/c1-7(2)4-9-6-10(17(18,19)20)12-13(21)14(27-16(12)22-9)15(25)23-11-5-8(3)26-24-11/h5-7H,4,21H2,1-3H3,(H,23,24,25).
What are the key properties of 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-methyl-1,2-oxazol-3-yl)-6-(2-methylpropyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 56699908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).