(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole

C11H16N2O2S — CID 154776388

IUPAC(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
SMILESCc1nc(CO[C@@H]2CN[C@@H]3COC[C@@H]32)cs1
InChIInChI=1S/C11H16N2O2S/c1-7-13-8(6-16-7)3-15-11-2-12-10-5-14-4-9(10)11/h6,9-12H,2-5H2,1H3/t9-,10+,11+/m0/s1
InChIKeyDBIAJLVYMWLNEP-HBNTYKKESA-N
MW240.33 g/mol
LogP0.95
Rot. Bonds3

About (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole

(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole (PubChem CID 154776388) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole.

Molecular Properties

Compound Name(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
PubChem CID154776388
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole
SMILESCc1nc(CO[C@@H]2CN[C@@H]3COC[C@@H]32)cs1
InChIInChI=1S/C11H16N2O2S/c1-7-13-8(6-16-7)3-15-11-2-12-10-5-14-4-9(10)11/h6,9-12H,2-5H2,1H3/t9-,10+,11+/m0/s1
InChIKeyDBIAJLVYMWLNEP-HBNTYKKESA-N
XLogP0.95
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole with MolForge

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Related Compounds

(3R,3aR,6aS)-1-cyclopropylsulfonyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97459621
(4aS,7R,7aR)-7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine;hydrochloride
CID 155853192
(3S,3aR,6aS)-1-[(3,4-difluorophenyl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 155875716
(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97378627
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050
2-methyl-4-(piperidin-4-yloxymethyl)-1,3-thiazole
CID 43167825
(3S)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-8-azaspiro[4.5]decane
CID 97394988
(3R,3aR,6aS)-1-(cyclopropylmethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;2,2,2-trifluoroacetic acid
CID 171695103
(3R,3aR,6aS)-1-[(5-methylfuran-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole;2,2,2-trifluoroacetic acid
CID 171695746
4-[[(3R,4R)-3-benzylpiperidin-4-yl]oxymethyl]-2-methyl-1,3-thiazole
CID 124812608
(3S,5S)-7-(1H-imidazol-5-ylmethyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane
CID 97394350
2-methyl-4-(2-pyrrolidin-3-ylethoxymethyl)-1,3-thiazole
CID 114796190

Frequently Asked Questions

What is the IUPAC name of (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole?
The IUPAC name of (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole (CID 154776388) is (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole.
What is the SMILES notation for (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole?
The canonical SMILES for (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole is Cc1nc(CO[C@@H]2CN[C@@H]3COC[C@@H]32)cs1.
What is the InChIKey of (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole?
The InChIKey is DBIAJLVYMWLNEP-HBNTYKKESA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-13-8(6-16-7)3-15-11-2-12-10-5-14-4-9(10)11/h6,9-12H,2-5H2,1H3/t9-,10+,11+/m0/s1.
What are the key properties of (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole?
(3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole has a molecular weight of 240.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aR,6aS)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydro-1H-furo[3,4-b]pyrrole is sourced from PubChem (CID 154776388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).