N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide

C24H19ClF3N5O4S — CID 126715640

IUPACN-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide
SMILESO=C(NC1=N[C@@]2(c3nc(NC(=O)c4ccc(Cl)cn4)cs3)CO[C@@H](C(F)(F)F)C[C@H]2CO1)c1ccccc1
InChIInChI=1S/C24H19ClF3N5O4S/c25-15-6-7-16(29-9-15)20(35)30-18-11-38-21(31-18)23-12-37-17(24(26,27)28)8-14(23)10-36-22(33-23)32-19(34)13-4-2-1-3-5-13/h1-7,9,11,14,17H,8,10,12H2,(H,30,35)(H,32,33,34)/t14-,17+,23-/m0/s1
InChIKeyYGIBKBKPGRYASS-KNUWZQJKSA-N
MW565.96 g/mol
LogP4.42
Rot. Bonds4

About N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide

N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide (PubChem CID 126715640) has the molecular formula C24H19ClF3N5O4S and a molecular weight of 565.96 g/mol. Its IUPAC name is N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide
PubChem CID126715640
Molecular FormulaC24H19ClF3N5O4S
Molecular Weight565.96 g/mol
Exact Mass565.08
IUPAC NameN-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide
SMILESO=C(NC1=N[C@@]2(c3nc(NC(=O)c4ccc(Cl)cn4)cs3)CO[C@@H](C(F)(F)F)C[C@H]2CO1)c1ccccc1
InChIInChI=1S/C24H19ClF3N5O4S/c25-15-6-7-16(29-9-15)20(35)30-18-11-38-21(31-18)23-12-37-17(24(26,27)28)8-14(23)10-36-22(33-23)32-19(34)13-4-2-1-3-5-13/h1-7,9,11,14,17H,8,10,12H2,(H,30,35)(H,32,33,34)/t14-,17+,23-/m0/s1
InChIKeyYGIBKBKPGRYASS-KNUWZQJKSA-N
XLogP4.42
TPSA114.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.96
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide with MolForge

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Related Compounds

N-[2-[2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126720450
N-[2-[(4aS,6S,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide
CID 126715558
N-[2-[(4S,4aR,6S,8aR)-2-benzamido-4-(fluoromethyl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 126715615
N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-isocyanopyridine-2-carboxamide
CID 123290864
N-[2-[(4aR,6R,8aR)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 126715588
N-[2-[(4aS,8aS)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 126735384
N-[2-[(4aR,6R,8aR)-2-amino-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-isocyano-3-methylpyridine-2-carboxamide
CID 140779943
N-[6-[(4S,6R)-2-benzamido-6-(difluoromethyl)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazin-6-yl]-5-fluoro-2-pyridinyl]-5-chloropyridine-2-carboxamide
CID 90375280
N-[2-[(4aR,6S)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 118435577
N-[3-[(4aR,7aS)-2-benzamido-5-(1,1-difluoroethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]oxazin-7a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138534050
N-[2-[(4aR,6S,8aR)-2-benzamido-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-4-chloro-1-(difluoromethyl)pyrazole-3-carboxamide
CID 118435450
N-[2-(2-amino-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl)-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 145279845

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide (CID 126715640) is N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide is O=C(NC1=N[C@@]2(c3nc(NC(=O)c4ccc(Cl)cn4)cs3)CO[C@@H](C(F)(F)F)C[C@H]2CO1)c1ccccc1.
What is the InChIKey of N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide?
The InChIKey is YGIBKBKPGRYASS-KNUWZQJKSA-N. The full InChI is InChI=1S/C24H19ClF3N5O4S/c25-15-6-7-16(29-9-15)20(35)30-18-11-38-21(31-18)23-12-37-17(24(26,27)28)8-14(23)10-36-22(33-23)32-19(34)13-4-2-1-3-5-13/h1-7,9,11,14,17H,8,10,12H2,(H,30,35)(H,32,33,34)/t14-,17+,23-/m0/s1.
What are the key properties of N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide?
N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide has a molecular weight of 565.96 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4aR,6R,8aR)-2-benzamido-6-(trifluoromethyl)-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]oxazin-8a-yl]-1,3-thiazol-4-yl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 126715640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).