8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

C20H17F3N4O2S — CID 87295228

IUPAC8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1csc(NC(=O)N2CCOc3c(C)cc(-c4cccc(C(F)(F)F)c4)nc32)n1
InChIInChI=1S/C20H17F3N4O2S/c1-11-8-15(13-4-3-5-14(9-13)20(21,22)23)25-17-16(11)29-7-6-27(17)19(28)26-18-24-12(2)10-30-18/h3-5,8-10H,6-7H2,1-2H3,(H,24,26,28)
InChIKeyFHORUQMOVPKULS-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.27
Rot. Bonds2

About 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide

8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (PubChem CID 87295228) has the molecular formula C20H17F3N4O2S and a molecular weight of 434.44 g/mol. Its IUPAC name is 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
PubChem CID87295228
Molecular FormulaC20H17F3N4O2S
Molecular Weight434.44 g/mol
Exact Mass434.10
IUPAC Name8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
SMILESCc1csc(NC(=O)N2CCOc3c(C)cc(-c4cccc(C(F)(F)F)c4)nc32)n1
InChIInChI=1S/C20H17F3N4O2S/c1-11-8-15(13-4-3-5-14(9-13)20(21,22)23)25-17-16(11)29-7-6-27(17)19(28)26-18-24-12(2)10-30-18/h3-5,8-10H,6-7H2,1-2H3,(H,24,26,28)
InChIKeyFHORUQMOVPKULS-UHFFFAOYSA-N
XLogP5.27
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide (CID 87295228) is 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is Cc1csc(NC(=O)N2CCOc3c(C)cc(-c4cccc(C(F)(F)F)c4)nc32)n1.
What is the InChIKey of 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
The InChIKey is FHORUQMOVPKULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2S/c1-11-8-15(13-4-3-5-14(9-13)20(21,22)23)25-17-16(11)29-7-6-27(17)19(28)26-18-24-12(2)10-30-18/h3-5,8-10H,6-7H2,1-2H3,(H,24,26,28).
What are the key properties of 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide?
8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide has a molecular weight of 434.44 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-(4-methyl-1,3-thiazol-2-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 87295228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).