N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide

C18H17N5O2S2 — CID 68587009

IUPACN-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2csc(C34COCCC3CSC(N)=N4)c2)nc1
InChIInChI=1S/C18H17N5O2S2/c19-6-11-1-2-14(21-7-11)16(24)22-13-5-15(26-9-13)18-10-25-4-3-12(18)8-27-17(20)23-18/h1-2,5,7,9,12H,3-4,8,10H2,(H2,20,23)(H,22,24)
InChIKeyLAOKNTCIMWLGDD-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.56
Rot. Bonds3

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

N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide (PubChem CID 68587009) has the molecular formula C18H17N5O2S2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide
PubChem CID68587009
Molecular FormulaC18H17N5O2S2
Molecular Weight399.50 g/mol
Exact Mass399.08
IUPAC NameN-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide
SMILESN#Cc1ccc(C(=O)Nc2csc(C34COCCC3CSC(N)=N4)c2)nc1
InChIInChI=1S/C18H17N5O2S2/c19-6-11-1-2-14(21-7-11)16(24)22-13-5-15(26-9-13)18-10-25-4-3-12(18)8-27-17(20)23-18/h1-2,5,7,9,12H,3-4,8,10H2,(H2,20,23)(H,22,24)
InChIKeyLAOKNTCIMWLGDD-UHFFFAOYSA-N
XLogP2.56
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

(4aR,8aR)-8a-(4-bromothiophen-2-yl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-amine
CID 58406053
N-[3-[(4aS)-2-amino-5-fluoro-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 67217181
N-[3-[(4aS,5S,8aS)-2-amino-5-fluoro-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 45279684
N-[3-[(6R,8aS)-2-amino-6-(hydroxymethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118033381
N-[3-[(4aS,5R,8aS)-2-amino-5-methoxy-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 45279878
N-[3-[(4aS,5S,7aR)-2-amino-5-ethyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 123826070
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
N-[3-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-(difluoromethoxy)pyridine-2-carboxamide;ethane
CID 144942361
N-[3-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-ethoxypyrazine-2-carboxamide
CID 68586164
N-[5-[(4aR,8aR)-2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]thiophen-3-yl]-5-isocyanopyridine-2-carboxamide;N-[3-[(4aR,6R,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide;N-[3-[(4aR,6R,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 158296582
N-[3-[(4aS)-2-amino-5-(1,1-difluoroethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 139364835
N-[3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 86762787

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide (CID 68587009) is N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide is N#Cc1ccc(C(=O)Nc2csc(C34COCCC3CSC(N)=N4)c2)nc1.
What is the InChIKey of N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide?
The InChIKey is LAOKNTCIMWLGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S2/c19-6-11-1-2-14(21-7-11)16(24)22-13-5-15(26-9-13)18-10-25-4-3-12(18)8-27-17(20)23-18/h1-2,5,7,9,12H,3-4,8,10H2,(H2,20,23)(H,22,24).
What are the key properties of N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide?
N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)thiophen-3-yl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 68587009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).