(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid

C18H26F3N3O4S — CID 127023496

IUPAC(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-11(2)18-15(20)16-5-7-21-14(16)4-6-19(9-16)8-13-12(3)17-10-22-13;3-2(4,5)1(6)7/h10-11,14H,4-9H2,1-3H3,(H,18,20);(H,6,7)/t14-,16-;/m1./s1
InChIKeyBWPHQYAAMBAWLJ-VNYZMKMESA-N
MW437.48 g/mol
LogP2.59
Rot. Bonds4

About (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid

(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 127023496) has the molecular formula C18H26F3N3O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID127023496
Molecular FormulaC18H26F3N3O4S
Molecular Weight437.48 g/mol
Exact Mass437.16
IUPAC Name(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-11(2)18-15(20)16-5-7-21-14(16)4-6-19(9-16)8-13-12(3)17-10-22-13;3-2(4,5)1(6)7/h10-11,14H,4-9H2,1-3H3,(H,18,20);(H,6,7)/t14-,16-;/m1./s1
InChIKeyBWPHQYAAMBAWLJ-VNYZMKMESA-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 (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362693
(3aR,7aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362720
(3aR,7aR)-N-methyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97362784
(3aR,7aR)-N-(cyclopropylmethyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387243
(3aR,7aR)-N,N-dimethyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97387253
[(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-pyrrolidin-1-ylmethanone
CID 97949859
[(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-morpholin-4-ylmethanone
CID 97949860
(3aR,7aR)-N-cyclopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 97949879
[(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97949907
(3aS,4R,7aS)-N-(2-methoxyethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 127021354
(3aS,4R,7aS)-N-(cyclopropylmethyl)-6-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 127022061
(3aR,7aR)-N-cyclopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 127023482

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid (CID 127023496) is (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid is Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BWPHQYAAMBAWLJ-VNYZMKMESA-N. The full InChI is InChI=1S/C16H25N3O2S.C2HF3O2/c1-11(2)18-15(20)16-5-7-21-14(16)4-6-19(9-16)8-13-12(3)17-10-22-13;3-2(4,5)1(6)7/h10-11,14H,4-9H2,1-3H3,(H,18,20);(H,6,7)/t14-,16-;/m1./s1.
What are the key properties of (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid?
(3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-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 (3aR,7aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127023496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).