(3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid

C15H21F3N4O4S — CID 155831151

IUPAC(3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nnc(N2C[C@@H]3COC[C@]3(C(=O)NC(C)C)C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N4O2S.C2HF3O2/c1-8(2)14-11(18)13-6-17(4-10(13)5-19-7-13)12-16-15-9(3)20-12;3-2(4,5)1(6)7/h8,10H,4-7H2,1-3H3,(H,14,18);(H,6,7)/t10-,13-;/m1./s1
InChIKeyNSDUACWCESFDRT-HTMVYDOJSA-N
MW410.42 g/mol
LogP1.46
Rot. Bonds3

About (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid

(3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155831151) has the molecular formula C15H21F3N4O4S and a molecular weight of 410.42 g/mol. Its IUPAC name is (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155831151
Molecular FormulaC15H21F3N4O4S
Molecular Weight410.42 g/mol
Exact Mass410.12
IUPAC Name(3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nnc(N2C[C@@H]3COC[C@]3(C(=O)NC(C)C)C2)s1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H20N4O2S.C2HF3O2/c1-8(2)14-11(18)13-6-17(4-10(13)5-19-7-13)12-16-15-9(3)20-12;3-2(4,5)1(6)7/h8,10H,4-7H2,1-3H3,(H,14,18);(H,6,7)/t10-,13-;/m1./s1
InChIKeyNSDUACWCESFDRT-HTMVYDOJSA-N
XLogP1.46
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-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

Related Compounds

(3aR,6aR)-N-(cyclopropylmethyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155832524
(3aR,6aR)-5-methyl-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 155839728
(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(oxan-4-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133128099
(3aS,6aS)-2-cyclohexyl-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133134752
2-[(3aS,6aS)-3a-(pyridin-4-ylmethoxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-5-methyl-1,3,4-thiadiazole;bis(2,2,2-trifluoroacetic acid)
CID 155830598
(3aR,6aR)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide
CID 97422247
2-[3-(methoxymethyl)-2-propan-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole;2,2,2-trifluoroacetic acid
CID 171692453
(3aR,6aR)-5-pyrimidin-2-yl-N-(thiophen-2-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid
CID 127021720
N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124817532
2-[4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-5-methyl-1,3,4-thiadiazole;bis(2,2,2-trifluoroacetic acid)
CID 155839957
(3aR,7aR)-2-(5-phenyl-1,3,4-thiadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137338545
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983073

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid (CID 155831151) is (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid is Cc1nnc(N2C[C@@H]3COC[C@]3(C(=O)NC(C)C)C2)s1.O=C(O)C(F)(F)F.
What is the InChIKey of (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NSDUACWCESFDRT-HTMVYDOJSA-N. The full InChI is InChI=1S/C13H20N4O2S.C2HF3O2/c1-8(2)14-11(18)13-6-17(4-10(13)5-19-7-13)12-16-15-9(3)20-12;3-2(4,5)1(6)7/h8,10H,4-7H2,1-3H3,(H,14,18);(H,6,7)/t10-,13-;/m1./s1.
What are the key properties of (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid?
(3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 410.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-yl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).