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

C18H26F3N3O4S — CID 155830228

IUPACN-[[(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
SMILESCc1nc(CN2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-11(2)15(20)17-8-16-9-19(4-13(16)6-21-10-16)5-14-7-22-12(3)18-14;3-2(4,5)1(6)7/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,20);(H,6,7)/t13-,16+;/m1./s1
InChIKeyHKCIMHRNZDDMRD-CACIRBSMSA-N
MW437.48 g/mol
LogP2.31
Rot. Bonds5

About 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

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 (PubChem CID 155830228) has the molecular formula C18H26F3N3O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID155830228
Molecular FormulaC18H26F3N3O4S
Molecular Weight437.48 g/mol
Exact Mass437.16
IUPAC NameN-[[(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
SMILESCc1nc(CN2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)cs1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N3O2S.C2HF3O2/c1-11(2)15(20)17-8-16-9-19(4-13(16)6-21-10-16)5-14-7-22-12(3)18-14;3-2(4,5)1(6)7/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,20);(H,6,7)/t13-,16+;/m1./s1
InChIKeyHKCIMHRNZDDMRD-CACIRBSMSA-N
XLogP2.31
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(3aR,6aS)-2-(cyclopropanecarbonyl)-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 127022988
N-[(3S,3aR,6aS)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
CID 127023435
(3aR,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-N-propan-2-yl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 127023520
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,6aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one;2,2,2-trifluoroacetic acid
CID 127023846
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
(3aS,6aR)-3a-(cyclopropylmethoxymethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155829721
N-[[(3aR,6aR)-5-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155831045
(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
(3aS,6aR)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-3a-(oxan-4-ylmethoxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155833921
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(CN2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)cs1.O=C(O)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is HKCIMHRNZDDMRD-CACIRBSMSA-N. The full InChI is InChI=1S/C16H25N3O2S.C2HF3O2/c1-11(2)15(20)17-8-16-9-19(4-13(16)6-21-10-16)5-14-7-22-12(3)18-14;3-2(4,5)1(6)7/h7,11,13H,4-6,8-10H2,1-3H3,(H,17,20);(H,6,7)/t13-,16+;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 437.48 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155830228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).