methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate

C12H16N2O3S — CID 80572379

IUPACmethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C12H16N2O3S/c1-16-12(15)10-5-13-11(18-10)9-6-14-4-2-3-8(14)7-17-9/h5,8-9H,2-4,6-7H2,1H3
InChIKeyXGIVNFYTNYTIRS-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.47
Rot. Bonds2

About methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate

methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate (PubChem CID 80572379) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate
PubChem CID80572379
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Namemethyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C12H16N2O3S/c1-16-12(15)10-5-13-11(18-10)9-6-14-4-2-3-8(14)7-17-9/h5,8-9H,2-4,6-7H2,1H3
InChIKeyXGIVNFYTNYTIRS-UHFFFAOYSA-N
XLogP1.47
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-Morpholin-4-ylethyl 2-propyl-1,3-thiazole-5-carboxylate
CID 54314232
Methyl 2-(2-morpholinoethyl)thiazole-5-carboxylate
CID 118286094
2-Methylbutan-2-yl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 75499551
(2-Methylcyclopropyl)methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 75514324
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid
CID 79077679
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carbaldehyde
CID 79088238
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanone
CID 79088428
methyl 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylate
CID 80571165
Methyl 2-(2-methyloxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 80572386
Methyl 2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylate
CID 80572523
Methyl 2-(4-methylmorpholin-2-yl)-1,3-thiazole-5-carboxylate
CID 80572637
Methyl 2-(oxolan-2-yl)-1,3-thiazole-5-carboxylate
CID 80572730

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate (CID 80572379) is methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(C2CN3CCCC3CO2)s1.
What is the InChIKey of methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is XGIVNFYTNYTIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-16-12(15)10-5-13-11(18-10)9-6-14-4-2-3-8(14)7-17-9/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate?
methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 268.34 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80572379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).