(4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine

C11H16N2O2S — CID 167867492

IUPAC(4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
SMILESCc1csc(N2CCO[C@@H]3CCOC[C@H]32)n1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-3-5-15-10-2-4-14-6-9(10)13/h7,9-10H,2-6H2,1H3/t9-,10-/m1/s1
InChIKeyKLGQJYAURKTVST-NXEZZACHSA-N
MW240.33 g/mol
LogP1.45
Rot. Bonds1

About (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine

(4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine (PubChem CID 167867492) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine.

Molecular Properties

Compound Name(4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
PubChem CID167867492
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine
SMILESCc1csc(N2CCO[C@@H]3CCOC[C@H]32)n1
InChIInChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-3-5-15-10-2-4-14-6-9(10)13/h7,9-10H,2-6H2,1H3/t9-,10-/m1/s1
InChIKeyKLGQJYAURKTVST-NXEZZACHSA-N
XLogP1.45
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine?
The IUPAC name of (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine (CID 167867492) is (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine.
What is the SMILES notation for (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine?
The canonical SMILES for (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine is Cc1csc(N2CCO[C@@H]3CCOC[C@H]32)n1.
What is the InChIKey of (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine?
The InChIKey is KLGQJYAURKTVST-NXEZZACHSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8-7-16-11(12-8)13-3-5-15-10-2-4-14-6-9(10)13/h7,9-10H,2-6H2,1H3/t9-,10-/m1/s1.
What are the key properties of (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine?
(4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine has a molecular weight of 240.33 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-4-(4-methyl-1,3-thiazol-2-yl)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[4,3-b][1,4]oxazine is sourced from PubChem (CID 167867492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).