N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide

C18H17FN4O2S — CID 86762162

IUPACN-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide
SMILESNC1=N[C@@]2(c3cc(NC(=O)c4ccccn4)ccc3F)OCC[C@H]2CS1
InChIInChI=1S/C18H17FN4O2S/c19-14-5-4-12(22-16(24)15-3-1-2-7-21-15)9-13(14)18-11(6-8-25-18)10-26-17(20)23-18/h1-5,7,9,11H,6,8,10H2,(H2,20,23)(H,22,24)/t11-,18+/m0/s1
InChIKeyJTMLYHWFKNEJFA-BBATYDOGSA-N
MW372.43 g/mol
LogP2.72
Rot. Bonds3

About N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide

N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide (PubChem CID 86762162) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide
PubChem CID86762162
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC NameN-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide
SMILESNC1=N[C@@]2(c3cc(NC(=O)c4ccccn4)ccc3F)OCC[C@H]2CS1
InChIInChI=1S/C18H17FN4O2S/c19-14-5-4-12(22-16(24)15-3-1-2-7-21-15)9-13(14)18-11(6-8-25-18)10-26-17(20)23-18/h1-5,7,9,11H,6,8,10H2,(H2,20,23)(H,22,24)/t11-,18+/m0/s1
InChIKeyJTMLYHWFKNEJFA-BBATYDOGSA-N
XLogP2.72
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

Ly-2886721
CID 49837968
N-{3-[(4ar,7ar)-2-Amino-4,4a,5,6-Tetrahydro-7ah-Furo[2,3-D][1,3]thiazin-7a-Yl]-4-Fluorophenyl}-5-Bromopyridine-2-Carboxamide
CID 89576898
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-6-(methoxymethyl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118441141
N-[3-[(4aS,5S,7aS)-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 122653795
N-[3-[(4aR,7aS)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 44198935
N-(3-((4aS,7aS)-2-amino-4a,5,7,7a-tetrahydro-4H-furo[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide
CID 57475760
N-(3-((4aR,7aR)-2-amino-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-chloropicolinamide
CID 71479644
N-(3-((4aR,7aR)-2-amino-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-cyanopicolinamide
CID 86762160
N-(3-((4aR,7aR)-2-amino-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-fluoropicolinamide
CID 86762161
N-(3-((4aR,7aR)-2-amino-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-(difluoromethoxy)picolinamide
CID 86762164
N-(3-((4aR,7aR)-2-amino-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-3-fluoropicolinamide
CID 86762166
N-[3-[(4aR,7aS)-2-amino-4a-fluoro-5,7-dihydro-4H-furo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 117738849

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide (CID 86762162) is N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide is NC1=N[C@@]2(c3cc(NC(=O)c4ccccn4)ccc3F)OCC[C@H]2CS1.
What is the InChIKey of N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide?
The InChIKey is JTMLYHWFKNEJFA-BBATYDOGSA-N. The full InChI is InChI=1S/C18H17FN4O2S/c19-14-5-4-12(22-16(24)15-3-1-2-7-21-15)9-13(14)18-11(6-8-25-18)10-26-17(20)23-18/h1-5,7,9,11H,6,8,10H2,(H2,20,23)(H,22,24)/t11-,18+/m0/s1.
What are the key properties of N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide?
N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydrofuro[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl]pyridine-2-carboxamide is sourced from PubChem (CID 86762162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).