(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

C18H26F3N3O4S — CID 155828902

IUPAC(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
SMILESCc1nc(CN2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-10(2)17-16(20)14-6-12-4-5-19(8-15(12)21-14)7-13-9-22-11(3)18-13;3-2(4,5)1(6)7/h9-10,12,14-15H,4-8H2,1-3H3,(H,17,20);(H,6,7)/t12-,14+,15-;/m0./s1
InChIKeyBGYANXDCJHMQOE-DWGNNRDYSA-N
MW437.48 g/mol
LogP2.59
Rot. Bonds4

About (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

(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 (PubChem CID 155828902) has the molecular formula C18H26F3N3O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155828902
Molecular FormulaC18H26F3N3O4S
Molecular Weight437.48 g/mol
Exact Mass437.16
IUPAC Name(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
SMILESCc1nc(CN2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-10(2)17-16(20)14-6-12-4-5-19(8-15(12)21-14)7-13-9-22-11(3)18-13;3-2(4,5)1(6)7/h9-10,12,14-15H,4-8H2,1-3H3,(H,17,20);(H,6,7)/t12-,14+,15-;/m0./s1
InChIKeyBGYANXDCJHMQOE-DWGNNRDYSA-N
XLogP2.59
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is Cc1nc(CN2CC[C@H]3C[C@H](C(=O)NC(C)C)O[C@H]3C2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of (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?
The InChIKey is BGYANXDCJHMQOE-DWGNNRDYSA-N. The full InChI is InChI=1S/C16H25N3O2S.C2HF3O2/c1-10(2)17-16(20)14-6-12-4-5-19(8-15(12)21-14)7-13-9-22-11(3)18-13;3-2(4,5)1(6)7/h9-10,12,14-15H,4-8H2,1-3H3,(H,17,20);(H,6,7)/t12-,14+,15-;/m0./s1.
What are the key properties of (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?
(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 has a molecular weight of 437.48 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155828902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).