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

C16H19FN4O2S — CID 97477174

IUPAC(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1nc(COC[C@]23COC[C@H]2CN(c2ncc(F)cn2)C3)cs1
InChIInChI=1S/C16H19FN4O2S/c1-11-20-14(7-24-11)6-23-10-16-8-21(4-12(16)5-22-9-16)15-18-2-13(17)3-19-15/h2-3,7,12H,4-6,8-10H2,1H3/t12-,16+/m1/s1
InChIKeySAKWQVLWTUBHLV-WBMJQRKESA-N
MW350.42 g/mol
LogP2.05
Rot. Bonds5

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

(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (PubChem CID 97477174) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
PubChem CID97477174
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
SMILESCc1nc(COC[C@]23COC[C@H]2CN(c2ncc(F)cn2)C3)cs1
InChIInChI=1S/C16H19FN4O2S/c1-11-20-14(7-24-11)6-23-10-16-8-21(4-12(16)5-22-9-16)15-18-2-13(17)3-19-15/h2-3,7,12H,4-6,8-10H2,1H3/t12-,16+/m1/s1
InChIKeySAKWQVLWTUBHLV-WBMJQRKESA-N
XLogP2.05
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

(3R,3aR,6aS)-1-(5-ethylpyrimidin-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 97386627
(2S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 97392489
4-[[(3aS,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole
CID 97421499
(3R,5S)-7-(5-fluoropyrimidin-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane
CID 97475010
(3S,5S)-7-(5-fluoropyrimidin-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane
CID 97476639
(3R,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124240781
(2S,3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124800111
4-[[(3aR,6aR)-2-(5-fluoropyrimidin-2-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methoxymethyl]-2-methyl-1,3-thiazole
CID 124806984
(3S,5R)-7-(5-fluoropyrimidin-2-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-1-oxa-7-azaspiro[4.4]nonane
CID 124807570
(3S,3aS,6aS)-5-(5-fluoropyrimidin-2-yl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124810936
(8R)-2-(5-fluoropyrimidin-2-yl)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124810971
(8S)-2-(5-fluoropyrimidin-2-yl)-8-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124810972

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The IUPAC name of (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole (CID 97477174) is (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole.
What is the SMILES notation for (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The canonical SMILES for (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is Cc1nc(COC[C@]23COC[C@H]2CN(c2ncc(F)cn2)C3)cs1.
What is the InChIKey of (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
The InChIKey is SAKWQVLWTUBHLV-WBMJQRKESA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-11-20-14(7-24-11)6-23-10-16-8-21(4-12(16)5-22-9-16)15-18-2-13(17)3-19-15/h2-3,7,12H,4-6,8-10H2,1H3/t12-,16+/m1/s1.
What are the key properties of (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole?
(3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole has a molecular weight of 350.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(5-fluoropyrimidin-2-yl)-3a-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole is sourced from PubChem (CID 97477174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).