(2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

C14H15FN4OS — CID 124783256

IUPAC(2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESFc1cnc(N2CC[C@@H]3C[C@H](c4nccs4)O[C@H]3C2)nc1
InChIInChI=1S/C14H15FN4OS/c15-10-6-17-14(18-7-10)19-3-1-9-5-11(20-12(9)8-19)13-16-2-4-21-13/h2,4,6-7,9,11-12H,1,3,5,8H2/t9-,11-,12+/m1/s1
InChIKeyNFUOCSQXOKWIRO-JLLWLGSASA-N
MW306.37 g/mol
LogP2.43
Rot. Bonds2

About (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine

(2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (PubChem CID 124783256) has the molecular formula C14H15FN4OS and a molecular weight of 306.37 g/mol. Its IUPAC name is (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.

Molecular Properties

Compound Name(2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
PubChem CID124783256
Molecular FormulaC14H15FN4OS
Molecular Weight306.37 g/mol
Exact Mass306.10
IUPAC Name(2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
SMILESFc1cnc(N2CC[C@@H]3C[C@H](c4nccs4)O[C@H]3C2)nc1
InChIInChI=1S/C14H15FN4OS/c15-10-6-17-14(18-7-10)19-3-1-9-5-11(20-12(9)8-19)13-16-2-4-21-13/h2,4,6-7,9,11-12H,1,3,5,8H2/t9-,11-,12+/m1/s1
InChIKeyNFUOCSQXOKWIRO-JLLWLGSASA-N
XLogP2.43
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The IUPAC name of (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine (CID 124783256) is (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine.
What is the SMILES notation for (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The canonical SMILES for (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is Fc1cnc(N2CC[C@@H]3C[C@H](c4nccs4)O[C@H]3C2)nc1.
What is the InChIKey of (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
The InChIKey is NFUOCSQXOKWIRO-JLLWLGSASA-N. The full InChI is InChI=1S/C14H15FN4OS/c15-10-6-17-14(18-7-10)19-3-1-9-5-11(20-12(9)8-19)13-16-2-4-21-13/h2,4,6-7,9,11-12H,1,3,5,8H2/t9-,11-,12+/m1/s1.
What are the key properties of (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine?
(2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine has a molecular weight of 306.37 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-(1,3-thiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine is sourced from PubChem (CID 124783256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).