[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone

C14H20N4O2S — CID 129345224

IUPAC[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone
SMILESCN1CC[C@H]2OCCN(C(=O)c3snnc3C3CC3)[C@H]2C1
InChIInChI=1S/C14H20N4O2S/c1-17-5-4-11-10(8-17)18(6-7-20-11)14(19)13-12(9-2-3-9)15-16-21-13/h9-11H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeyKQSGWSXCVFLRQI-WDEREUQCSA-N
MW308.41 g/mol
LogP0.96
Rot. Bonds2

About [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone

[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone (PubChem CID 129345224) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone
PubChem CID129345224
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone
SMILESCN1CC[C@H]2OCCN(C(=O)c3snnc3C3CC3)[C@H]2C1
InChIInChI=1S/C14H20N4O2S/c1-17-5-4-11-10(8-17)18(6-7-20-11)14(19)13-12(9-2-3-9)15-16-21-13/h9-11H,2-8H2,1H3/t10-,11+/m0/s1
InChIKeyKQSGWSXCVFLRQI-WDEREUQCSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone
CID 129345221
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129346881
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129485457
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 129345073
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 129486317
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 129486414
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129486187
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129486185
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-methoxy-3,5-dimethylphenyl)methanone
CID 129486069
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-chloroimidazo[1,2-a]pyridin-3-yl)methanone
CID 129486455
[(4aR,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanone
CID 129486424
[(4aR,8aS)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 129485599

Frequently Asked Questions

What is the IUPAC name of [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone?
The IUPAC name of [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone (CID 129345224) is [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone.
What is the SMILES notation for [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone?
The canonical SMILES for [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone is CN1CC[C@H]2OCCN(C(=O)c3snnc3C3CC3)[C@H]2C1.
What is the InChIKey of [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone?
The InChIKey is KQSGWSXCVFLRQI-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-17-5-4-11-10(8-17)18(6-7-20-11)14(19)13-12(9-2-3-9)15-16-21-13/h9-11H,2-8H2,1H3/t10-,11+/m0/s1.
What are the key properties of [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone?
[(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone has a molecular weight of 308.41 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8aR)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-(4-cyclopropylthiadiazol-5-yl)methanone is sourced from PubChem (CID 129345224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).