[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone

C14H15N3O3S — CID 136587450

IUPAC[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
SMILESO=C(c1nc2cccnc2s1)N1CCO[C@@H]2COCC[C@@H]21
InChIInChI=1S/C14H15N3O3S/c18-14(13-16-9-2-1-4-15-12(9)21-13)17-5-7-20-11-8-19-6-3-10(11)17/h1-2,4,10-11H,3,5-8H2/t10-,11+/m0/s1
InChIKeyFGHZTKPWPZONNW-WDEREUQCSA-N
MW305.36 g/mol
LogP1.32
Rot. Bonds1

About [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone

[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone (PubChem CID 136587450) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
PubChem CID136587450
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
SMILESO=C(c1nc2cccnc2s1)N1CCO[C@@H]2COCC[C@@H]21
InChIInChI=1S/C14H15N3O3S/c18-14(13-16-9-2-1-4-15-12(9)21-13)17-5-7-20-11-8-19-6-3-10(11)17/h1-2,4,10-11H,3,5-8H2/t10-,11+/m0/s1
InChIKeyFGHZTKPWPZONNW-WDEREUQCSA-N
XLogP1.32
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone with MolForge

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Related Compounds

[(2S)-2-(2-methylbutan-2-yl)pyrrolidin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone
CID 124737688
N-[[1-([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)piperidin-2-yl]methyl]acetamide
CID 154780110
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)pyridine-3-carboxylic acid
CID 63616256
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-(4-fluoro-1H-benzimidazol-5-yl)methanone
CID 136587463
2-[cyclopropyl([1,3]thiazolo[5,4-b]pyridine-2-carbonyl)amino]propanoic acid
CID 122067493
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-(4-methoxy-1H-indol-2-yl)methanone
CID 136587475
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(6-amino-2-pyridinyl)methanone
CID 62240163
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(2-methyl-3-pyridinyl)methanone
CID 127612447
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]methanone
CID 95583496
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 95271459
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(6-amino-2-pyridinyl)methanone;hydrochloride
CID 119999024
5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)pyrazine-2-carboxylic acid
CID 120685131

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone?
The IUPAC name of [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone (CID 136587450) is [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone.
What is the SMILES notation for [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone?
The canonical SMILES for [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone is O=C(c1nc2cccnc2s1)N1CCO[C@@H]2COCC[C@@H]21.
What is the InChIKey of [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone?
The InChIKey is FGHZTKPWPZONNW-WDEREUQCSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-14(13-16-9-2-1-4-15-12(9)21-13)17-5-7-20-11-8-19-6-3-10(11)17/h1-2,4,10-11H,3,5-8H2/t10-,11+/m0/s1.
What are the key properties of [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone?
[(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone has a molecular weight of 305.36 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]oxazin-1-yl]-([1,3]thiazolo[5,4-b]pyridin-2-yl)methanone is sourced from PubChem (CID 136587450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).