6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H18N4O3S — CID 97158825

IUPAC6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3C[C@@H]4[C@@H](C3)OCCN4C)cnc2s1
InChIInChI=1S/C15H18N4O3S/c1-9-6-19-14(21)10(5-16-15(19)23-9)13(20)18-7-11-12(8-18)22-4-3-17(11)2/h5-6,11-12H,3-4,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyUQEAHKODDLBVCM-VXGBXAGGSA-N
MW334.40 g/mol
LogP0.22
Rot. Bonds1

About 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 97158825) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID97158825
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2c(=O)c(C(=O)N3C[C@@H]4[C@@H](C3)OCCN4C)cnc2s1
InChIInChI=1S/C15H18N4O3S/c1-9-6-19-14(21)10(5-16-15(19)23-9)13(20)18-7-11-12(8-18)22-4-3-17(11)2/h5-6,11-12H,3-4,7-8H2,1-2H3/t11-,12-/m1/s1
InChIKeyUQEAHKODDLBVCM-VXGBXAGGSA-N
XLogP0.22
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

2-methyl-6-(pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 126470982
2-methyl-N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)amino]ethyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 18573669
(4-cyclopropyl-2-methylpyrimidin-5-yl)-(4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl)methanone
CID 128969774
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 122084602
(5aS,8aS)-5-methyl-7-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,3,5a,6,8,8a-hexahydropyrrolo[3,4-b][1,4]oxazepin-4-one
CID 154817953
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(3,5-dimethyl-1-benzothiophen-2-yl)methanone
CID 126813643
N-ethoxy-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469740
[(4aR,7aS)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(2-ethoxy-1,3-oxazol-4-yl)methanone
CID 154807800
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(1,7-naphthyridin-8-yl)methanone
CID 136586518
(5aS,8aS)-5-methyl-7-(2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)-2,3,5a,6,8,8a-hexahydropyrrolo[3,4-b][1,4]oxazepin-4-one;formic acid
CID 163333954
[(4aS,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-[3-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone
CID 122084608
[(4aR,8aR)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 129483801

Frequently Asked Questions

What is the IUPAC name of 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 97158825) is 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2c(=O)c(C(=O)N3C[C@@H]4[C@@H](C3)OCCN4C)cnc2s1.
What is the InChIKey of 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is UQEAHKODDLBVCM-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-9-6-19-14(21)10(5-16-15(19)23-9)13(20)18-7-11-12(8-18)22-4-3-17(11)2/h5-6,11-12H,3-4,7-8H2,1-2H3/t11-,12-/m1/s1.
What are the key properties of 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 334.40 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4aR,7aR)-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine-6-carbonyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 97158825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).