(3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

C19H25N3O2S — CID 124792510

IUPAC(3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1cccc(COC[C@@]23COC[C@@H]2CN(Cc2nc(C)cs2)C3)n1
InChIInChI=1S/C19H25N3O2S/c1-14-4-3-5-17(20-14)9-24-13-19-11-22(6-16(19)8-23-12-19)7-18-21-15(2)10-25-18/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-,19+/m0/s1
InChIKeyBZBCUVWQWZQVEF-QFBILLFUSA-N
MW359.50 g/mol
LogP2.82
Rot. Bonds6

About (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole

(3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 124792510) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID124792510
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name(3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1cccc(COC[C@@]23COC[C@@H]2CN(Cc2nc(C)cs2)C3)n1
InChIInChI=1S/C19H25N3O2S/c1-14-4-3-5-17(20-14)9-24-13-19-11-22(6-16(19)8-23-12-19)7-18-21-15(2)10-25-18/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-,19+/m0/s1
InChIKeyBZBCUVWQWZQVEF-QFBILLFUSA-N
XLogP2.82
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole with MolForge

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Related Compounds

(3aR,6aR)-5-cyclobutyl-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155849756
(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5-(pyridin-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;bis(2,2,2-trifluoroacetic acid)
CID 155833991
(3aR,6aR)-5-(furan-3-ylmethyl)-3a-(pyridin-2-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97476947
[(3aS,6aS)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-phenylmethanone
CID 124810349
(3aR,6aR)-5-cyclopropylsulfonyl-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97421150
N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155831045
N-[[(3aR,6aR)-5-[(6-methyl-2-pyridinyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyridazine-4-carboxamide
CID 97477807
(3aR,6aS)-3a-(oxan-4-ylmethoxymethyl)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124791689
[(3aR,6aR)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyridin-2-ylmethanone
CID 97484600
(3aS,6aR)-3a-(ethoxymethyl)-5-[(3-methoxyphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97420896
(3aR,6aR)-5-(furan-3-ylmethyl)-3a-(pyridin-3-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 97476892
4-[[(3aR,6aS)-3a-(methoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CID 162630076

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 124792510) is (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1cccc(COC[C@@]23COC[C@@H]2CN(Cc2nc(C)cs2)C3)n1.
What is the InChIKey of (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is BZBCUVWQWZQVEF-QFBILLFUSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-4-3-5-17(20-14)9-24-13-19-11-22(6-16(19)8-23-12-19)7-18-21-15(2)10-25-18/h3-5,10,16H,6-9,11-13H2,1-2H3/t16-,19+/m0/s1.
What are the key properties of (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 359.50 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a-[(6-methyl-2-pyridinyl)methoxymethyl]-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 124792510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).