[(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid

C19H26F3N3O5S — CID 155849883

IUPAC[(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1csc(CN2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O3S.C2HF3O2/c1-12-11-24-16(18-12)10-19-6-4-13-8-14(23-15(13)9-19)17(21)20-5-2-3-7-22-20;3-2(4,5)1(6)7/h11,13-15H,2-10H2,1H3;(H,6,7)/t13-,14-,15+;/m0./s1
InChIKeyRQRGDMJIZJNLDV-UEHWSTJSSA-N
MW465.49 g/mol
LogP2.62
Rot. Bonds3

About [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid

[(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid (PubChem CID 155849883) has the molecular formula C19H26F3N3O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
PubChem CID155849883
Molecular FormulaC19H26F3N3O5S
Molecular Weight465.49 g/mol
Exact Mass465.15
IUPAC Name[(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
SMILESCc1csc(CN2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H25N3O3S.C2HF3O2/c1-12-11-24-16(18-12)10-19-6-4-13-8-14(23-15(13)9-19)17(21)20-5-2-3-7-22-20;3-2(4,5)1(6)7/h11,13-15H,2-10H2,1H3;(H,6,7)/t13-,14-,15+;/m0./s1
InChIKeyRQRGDMJIZJNLDV-UEHWSTJSSA-N
XLogP2.62
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[(2S,3aS,7aS)-6-(1,3-thiazol-2-ylmethyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(4-methylpiperidin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021291
(2R,3aS,7aR)-N-(2-methoxyethyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155823993
(2R,3aS,7aR)-N-(cyclopropylmethyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824030
(2S,3aS,7aS)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155824235
(2S,3aS,7aS)-N-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155827385
[(3aR,6S,7aR)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridin-6-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155827431
(2R,3aS,7aS)-N-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155827954
[(3aR,5S,7aR)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155828067
2-[[(3aS,7aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155828590
(2S,3aS,7aS)-N-cyclopropyl-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155828779
(2S,3aS,7aS)-N-(cyclopropylmethyl)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155828877
(2R,3aS,7aR)-6-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-propan-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155828902

Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid (CID 155849883) is [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid is Cc1csc(CN2CC[C@H]3C[C@@H](C(=O)N4CCCCO4)O[C@@H]3C2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid?
The InChIKey is RQRGDMJIZJNLDV-UEHWSTJSSA-N. The full InChI is InChI=1S/C17H25N3O3S.C2HF3O2/c1-12-11-24-16(18-12)10-19-6-4-13-8-14(23-15(13)9-19)17(21)20-5-2-3-7-22-20;3-2(4,5)1(6)7/h11,13-15H,2-10H2,1H3;(H,6,7)/t13-,14-,15+;/m0./s1.
What are the key properties of [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid?
[(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid has a molecular weight of 465.49 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,7aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-2-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155849883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).