N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide

C20H26N6O2S2 — CID 123455847

IUPACN-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide
SMILESCC1CC2CSC(N)=NC2(c2nc(NC(=O)c3cc(C4CCC4)nn3C)cs2)CO1
InChIInChI=1S/C20H26N6O2S2/c1-11-6-13-8-30-19(21)24-20(13,10-28-11)18-23-16(9-29-18)22-17(27)15-7-14(25-26(15)2)12-4-3-5-12/h7,9,11-13H,3-6,8,10H2,1-2H3,(H2,21,24)(H,22,27)
InChIKeySSQFRZCBPFEOAS-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide

N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide (PubChem CID 123455847) has the molecular formula C20H26N6O2S2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide
PubChem CID123455847
Molecular FormulaC20H26N6O2S2
Molecular Weight446.60 g/mol
Exact Mass446.16
IUPAC NameN-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide
SMILESCC1CC2CSC(N)=NC2(c2nc(NC(=O)c3cc(C4CCC4)nn3C)cs2)CO1
InChIInChI=1S/C20H26N6O2S2/c1-11-6-13-8-30-19(21)24-20(13,10-28-11)18-23-16(9-29-18)22-17(27)15-7-14(25-26(15)2)12-4-3-5-12/h7,9,11-13H,3-6,8,10H2,1-2H3,(H2,21,24)(H,22,27)
InChIKeySSQFRZCBPFEOAS-UHFFFAOYSA-N
XLogP3.08
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide (CID 123455847) is N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide is CC1CC2CSC(N)=NC2(c2nc(NC(=O)c3cc(C4CCC4)nn3C)cs2)CO1.
What is the InChIKey of N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide?
The InChIKey is SSQFRZCBPFEOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S2/c1-11-6-13-8-30-19(21)24-20(13,10-28-11)18-23-16(9-29-18)22-17(27)15-7-14(25-26(15)2)12-4-3-5-12/h7,9,11-13H,3-6,8,10H2,1-2H3,(H2,21,24)(H,22,27).
What are the key properties of N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide?
N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.08, 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-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-3-cyclobutyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 123455847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).