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

C18H24F3N3O5S — CID 155838001

IUPAC[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCOCC3)C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N3O3S.C2HF3O2/c1-12-9-23-14(17-12)7-18-6-13-8-22-11-16(13,10-18)15(20)19-2-4-21-5-3-19;3-2(4,5)1(6)7/h9,13H,2-8,10-11H2,1H3;(H,6,7)/t13-,16-;/m1./s1
InChIKeyPLYWOOBXBIVEAP-OALZAMAHSA-N
MW451.47 g/mol
LogP1.39
Rot. Bonds3

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

[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155838001) has the molecular formula C18H24F3N3O5S and a molecular weight of 451.47 g/mol. Its IUPAC name is [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155838001
Molecular FormulaC18H24F3N3O5S
Molecular Weight451.47 g/mol
Exact Mass451.14
IUPAC Name[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCOCC3)C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H23N3O3S.C2HF3O2/c1-12-9-23-14(17-12)7-18-6-13-8-22-11-16(13,10-18)15(20)19-2-4-21-5-3-19;3-2(4,5)1(6)7/h9,13H,2-8,10-11H2,1H3;(H,6,7)/t13-,16-;/m1./s1
InChIKeyPLYWOOBXBIVEAP-OALZAMAHSA-N
XLogP1.39
TPSA92.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127023651
(3aR,6aR)-2-(2-methoxyacetyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
CID 127023710
2-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 127024002
(3aR,6aR)-N-(3,3-difluorocyclobutyl)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422371
N-[[(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-2-methylpropanamide;2,2,2-trifluoroacetic acid
CID 155830228
(3aR,6aR)-N-(2-methoxyethyl)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155831613
2-[(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 155833170
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-7-(oxolane-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155836380
(3aR,6aS)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(oxolane-3-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
CID 155854347
(3aR,6aS)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(oxan-4-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155854482
(3aR,6aS)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(oxan-4-yl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;bis(2,2,2-trifluoroacetic acid)
CID 155854631
[(3aR,6S,6aR)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-6-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155864194

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155838001) is [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is Cc1csc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCOCC3)C2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is PLYWOOBXBIVEAP-OALZAMAHSA-N. The full InChI is InChI=1S/C16H23N3O3S.C2HF3O2/c1-12-9-23-14(17-12)7-18-6-13-8-22-11-16(13,10-18)15(20)19-2-4-21-5-3-19;3-2(4,5)1(6)7/h9,13H,2-8,10-11H2,1H3;(H,6,7)/t13-,16-;/m1./s1.
What are the key properties of [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 451.47 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155838001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).