(3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid

C14H18F3N3O4S — CID 155836540

IUPAC(3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O2S.C2HF3O2/c1-13-12(16)9-7-17-10-5-15(4-8(9)10)6-11-14-2-3-18-11;3-2(4,5)1(6)7/h2-3,8-10H,4-7H2,1H3,(H,13,16);(H,6,7)/t8-,9+,10-;/m1./s1
InChIKeyGAGWFPCUXRWZQP-YMQJAAJZSA-N
MW381.38 g/mol
LogP0.97
Rot. Bonds3

About (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid

(3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155836540) has the molecular formula C14H18F3N3O4S and a molecular weight of 381.38 g/mol. Its IUPAC name is (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155836540
Molecular FormulaC14H18F3N3O4S
Molecular Weight381.38 g/mol
Exact Mass381.10
IUPAC Name(3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12.O=C(O)C(F)(F)F
InChIInChI=1S/C12H17N3O2S.C2HF3O2/c1-13-12(16)9-7-17-10-5-15(4-8(9)10)6-11-14-2-3-18-11;3-2(4,5)1(6)7/h2-3,8-10H,4-7H2,1H3,(H,13,16);(H,6,7)/t8-,9+,10-;/m1./s1
InChIKeyGAGWFPCUXRWZQP-YMQJAAJZSA-N
XLogP0.97
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155836540) is (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)[C@H]1CO[C@@H]2CN(Cc3nccs3)C[C@H]12.O=C(O)C(F)(F)F.
What is the InChIKey of (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GAGWFPCUXRWZQP-YMQJAAJZSA-N. The full InChI is InChI=1S/C12H17N3O2S.C2HF3O2/c1-13-12(16)9-7-17-10-5-15(4-8(9)10)6-11-14-2-3-18-11;3-2(4,5)1(6)7/h2-3,8-10H,4-7H2,1H3,(H,13,16);(H,6,7)/t8-,9+,10-;/m1./s1.
What are the key properties of (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid?
(3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 381.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6aS)-N-methyl-5-(1,3-thiazol-2-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).