N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane

C19H22F3N5O3S2 — CID 144942364

IUPACN-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane
SMILESCC.NC1=NC2(c3nc(NC(=O)c4ccc(OC(F)(F)F)cn4)cs3)COCCC2CS1
InChIInChI=1S/C17H16F3N5O3S2.C2H6/c18-17(19,20)28-10-1-2-11(22-5-10)13(26)23-12-7-29-14(24-12)16-8-27-4-3-9(16)6-30-15(21)25-16;1-2/h1-2,5,7,9H,3-4,6,8H2,(H2,21,25)(H,23,26);1-2H3
InChIKeyISQMUYVWYZREJD-UHFFFAOYSA-N
MW489.55 g/mol
LogP4.01
Rot. Bonds4

About N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane

N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane (PubChem CID 144942364) has the molecular formula C19H22F3N5O3S2 and a molecular weight of 489.55 g/mol. Its IUPAC name is N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane
PubChem CID144942364
Molecular FormulaC19H22F3N5O3S2
Molecular Weight489.55 g/mol
Exact Mass489.11
IUPAC NameN-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane
SMILESCC.NC1=NC2(c3nc(NC(=O)c4ccc(OC(F)(F)F)cn4)cs3)COCCC2CS1
InChIInChI=1S/C17H16F3N5O3S2.C2H6/c18-17(19,20)28-10-1-2-11(22-5-10)13(26)23-12-7-29-14(24-12)16-8-27-4-3-9(16)6-30-15(21)25-16;1-2/h1-2,5,7,9H,3-4,6,8H2,(H2,21,25)(H,23,26);1-2H3
InChIKeyISQMUYVWYZREJD-UHFFFAOYSA-N
XLogP4.01
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.55
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane?
The IUPAC name of N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane (CID 144942364) is N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane.
What is the SMILES notation for N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane?
The canonical SMILES for N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane is CC.NC1=NC2(c3nc(NC(=O)c4ccc(OC(F)(F)F)cn4)cs3)COCCC2CS1.
What is the InChIKey of N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane?
The InChIKey is ISQMUYVWYZREJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O3S2.C2H6/c18-17(19,20)28-10-1-2-11(22-5-10)13(26)23-12-7-29-14(24-12)16-8-27-4-3-9(16)6-30-15(21)25-16;1-2/h1-2,5,7,9H,3-4,6,8H2,(H2,21,25)(H,23,26);1-2H3.
What are the key properties of N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane?
N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane has a molecular weight of 489.55 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(trifluoromethoxy)pyridine-2-carboxamide;ethane is sourced from PubChem (CID 144942364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).