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

C11H14N2O3S — CID 79077679

IUPAC2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C11H14N2O3S/c14-11(15)9-4-12-10(17-9)8-5-13-3-1-2-7(13)6-16-8/h4,7-8H,1-3,5-6H2,(H,14,15)
InChIKeyGUMWXQAUMAPVKH-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.38
Rot. Bonds2

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

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 79077679) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID79077679
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CN3CCCC3CO2)s1
InChIInChI=1S/C11H14N2O3S/c14-11(15)9-4-12-10(17-9)8-5-13-3-1-2-7(13)6-16-8/h4,7-8H,1-3,5-6H2,(H,14,15)
InChIKeyGUMWXQAUMAPVKH-UHFFFAOYSA-N
XLogP1.38
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(Oxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 64981658
2-[2-(4-Morpholinyl)ethyl]-5-thiazolecarboxylic acid
CID 82191391
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62752600
2-(4-Methylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79077579
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]methanol
CID 79086067
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
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 79088707
2-(4-Propan-2-ylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79657586
2-(4-Ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79666913
2-(4-Propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79668919
2-(2-Methyloxolan-2-yl)-1,3-thiazole-5-carboxylic acid
CID 80166749

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 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) is 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(C2CN3CCCC3CO2)s1.
What is the InChIKey of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is GUMWXQAUMAPVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c14-11(15)9-4-12-10(17-9)8-5-13-3-1-2-7(13)6-16-8/h4,7-8H,1-3,5-6H2,(H,14,15).
What are the key properties of 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid?
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 254.31 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 79077679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).