[(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone

C17H25N3O3S — CID 124804747

IUPAC[(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
SMILESCc1nc(CN2CC[C@@H]3C[C@H](C(=O)N4CCCCO4)O[C@H]3C2)cs1
InChIInChI=1S/C17H25N3O3S/c1-12-18-14(11-24-12)9-19-6-4-13-8-15(23-16(13)10-19)17(21)20-5-2-3-7-22-20/h11,13,15-16H,2-10H2,1H3/t13-,15-,16+/m1/s1
InChIKeyWBSLPLRGTQRUSA-BMFZPTHFSA-N
MW351.47 g/mol
LogP1.98
Rot. Bonds3

About [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone

[(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone (PubChem CID 124804747) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
PubChem CID124804747
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone
SMILESCc1nc(CN2CC[C@@H]3C[C@H](C(=O)N4CCCCO4)O[C@H]3C2)cs1
InChIInChI=1S/C17H25N3O3S/c1-12-18-14(11-24-12)9-19-6-4-13-8-15(23-16(13)10-19)17(21)20-5-2-3-7-22-20/h11,13,15-16H,2-10H2,1H3/t13-,15-,16+/m1/s1
InChIKeyWBSLPLRGTQRUSA-BMFZPTHFSA-N
XLogP1.98
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone (CID 124804747) is [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone is Cc1nc(CN2CC[C@@H]3C[C@H](C(=O)N4CCCCO4)O[C@H]3C2)cs1.
What is the InChIKey of [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
The InChIKey is WBSLPLRGTQRUSA-BMFZPTHFSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-12-18-14(11-24-12)9-19-6-4-13-8-15(23-16(13)10-19)17(21)20-5-2-3-7-22-20/h11,13,15-16H,2-10H2,1H3/t13-,15-,16+/m1/s1.
What are the key properties of [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone?
[(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone has a molecular weight of 351.47 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3aR,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 124804747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).