N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

C17H19F3N4O4S2 — CID 127024028

IUPACN-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1cscn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N4O2S2.C2HF3O2/c20-14(12-6-22-10-18-12)17-7-15-8-19(3-11(15)5-21-9-15)4-13-16-1-2-23-13;3-2(4,5)1(6)7/h1-2,6,10-11H,3-5,7-9H2,(H,17,20);(H,6,7)/t11-,15+;/m1./s1
InChIKeyMFJNRIKHDBOWFZ-BTAXJDQBSA-N
MW464.49 g/mol
LogP2.11
Rot. Bonds5

About N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 127024028) has the molecular formula C17H19F3N4O4S2 and a molecular weight of 464.49 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID127024028
Molecular FormulaC17H19F3N4O4S2
Molecular Weight464.49 g/mol
Exact Mass464.08
IUPAC NameN-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1cscn1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18N4O2S2.C2HF3O2/c20-14(12-6-22-10-18-12)17-7-15-8-19(3-11(15)5-21-9-15)4-13-16-1-2-23-13;3-2(4,5)1(6)7/h1-2,6,10-11H,3-5,7-9H2,(H,17,20);(H,6,7)/t11-,15+;/m1./s1
InChIKeyMFJNRIKHDBOWFZ-BTAXJDQBSA-N
XLogP2.11
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.49
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 127024028) is N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC[C@]12COC[C@H]1CN(Cc1nccs1)C2)c1cscn1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MFJNRIKHDBOWFZ-BTAXJDQBSA-N. The full InChI is InChI=1S/C15H18N4O2S2.C2HF3O2/c20-14(12-6-22-10-18-12)17-7-15-8-19(3-11(15)5-21-9-15)4-13-16-1-2-23-13;3-2(4,5)1(6)7/h1-2,6,10-11H,3-5,7-9H2,(H,17,20);(H,6,7)/t11-,15+;/m1./s1.
What are the key properties of N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 464.49 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-(1,3-thiazol-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127024028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).