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

C19H12F3N3O2S — CID 71888448

IUPAC3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3cnco3)c2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C19H12F3N3O2S/c1-10-13-5-6-15(19(20,21)22)25-18(13)28-16(10)17(26)24-12-4-2-3-11(7-12)14-8-23-9-27-14/h2-9H,1H3,(H,24,26)
InChIKeySVBBBTUAGIQMJE-UHFFFAOYSA-N
MW403.39 g/mol
LogP5.53
Rot. Bonds3

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

3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 71888448) has the molecular formula C19H12F3N3O2S and a molecular weight of 403.39 g/mol. Its IUPAC name is 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID71888448
Molecular FormulaC19H12F3N3O2S
Molecular Weight403.39 g/mol
Exact Mass403.06
IUPAC Name3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2cccc(-c3cnco3)c2)sc2nc(C(F)(F)F)ccc12
InChIInChI=1S/C19H12F3N3O2S/c1-10-13-5-6-15(19(20,21)22)25-18(13)28-16(10)17(26)24-12-4-2-3-11(7-12)14-8-23-9-27-14/h2-9H,1H3,(H,24,26)
InChIKeySVBBBTUAGIQMJE-UHFFFAOYSA-N
XLogP5.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.39
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

2-Butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine
CID 118059100
6-(1,3-Oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
CID 123216017
N-(2,6-difluorophenyl)-4-methyl-5-[3-(1,3-oxazol-2-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 24764558
2,6-difluoro-N-[4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]phenyl]benzamide
CID 24875412
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]phenyl]benzamide
CID 24875414
N-[(3-fluoro-4-pyridinyl)methyl]-4-[3-methyl-5-(1,3-oxazol-5-yl)thiophen-2-yl]aniline
CID 24876634
2,6-difluoro-N-[6-[2-methyl-5-(1,3-oxazol-5-yl)thiophen-3-yl]-3-pyridinyl]benzamide
CID 25177283
3-fluoro-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703373
3,5-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]thiophen-2-yl]pyridine-4-carboxamide
CID 58703399
N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118862322
N-[3-(1,3-oxazol-5-yl)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 118862376
N-[3-(1,1-difluoroethyl)-5-(1,3-oxazol-5-yl)phenyl]pyridine-2-carboxamide
CID 118873798

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 71888448) is 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2cccc(-c3cnco3)c2)sc2nc(C(F)(F)F)ccc12.
What is the InChIKey of 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SVBBBTUAGIQMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2S/c1-10-13-5-6-15(19(20,21)22)25-18(13)28-16(10)17(26)24-12-4-2-3-11(7-12)14-8-23-9-27-14/h2-9H,1H3,(H,24,26).
What are the key properties of 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 71888448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).