N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

C16H18F3N5O4S2 — CID 155839923

About N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155839923) has the molecular formula C16H18F3N5O4S2 and a molecular weight of 465.48 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155839923
• Molecular Formula: C16H18F3N5O4S2
• Molecular Weight: 465.48 g/mol
• Exact Mass: 465.08
• IUPAC Name: N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1nnc(N2C[C@@H]3[C@H](CNC(=O)c4cscn4)CO[C@@H]3C2)s1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C14H17N5O2S2.C2HF3O2/c1-8-17-18-14(23-8)19-3-10-9(5-21-12(10)4-19)2-15-13(20)11-6-22-7-16-11;3-2(4,5)1(6)7/h6-7,9-10,12H,2-5H2,1H3,(H,15,20);(H,6,7)/t9-,10-,12-;/m1./s1
• InChIKey: ZRQJDZFAIJVYSW-TXULWXBWSA-N
• XLogP: 1.82
• TPSA: 117.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.48
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 155839923) is N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1nnc(N2C[C@@H]3[C@H](CNC(=O)c4cscn4)CO[C@@H]3C2)s1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is ZRQJDZFAIJVYSW-TXULWXBWSA-N. The full InChI is InChI=1S/C14H17N5O2S2.C2HF3O2/c1-8-17-18-14(23-8)19-3-10-9(5-21-12(10)4-19)2-15-13(20)11-6-22-7-16-11;3-2(4,5)1(6)7/h6-7,9-10,12H,2-5H2,1H3,(H,15,20);(H,6,7)/t9-,10-,12-;/m1./s1.

What are the key properties of N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?

N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 465.48 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R,3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155839923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).