7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C20H24F3N3O2S — CID 24687921

IUPAC7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)CS2
InChIInChI=1S/C20H24F3N3O2S/c1-19-8-7-17(27)26(19)16(12-29-19)18(28)24-14-11-13(20(21,22)23)5-6-15(14)25-9-3-2-4-10-25/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,24,28)
InChIKeyCUUTVJSLTGSWTB-UHFFFAOYSA-N
MW427.49 g/mol
LogP4.09
Rot. Bonds3

About 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24687921) has the molecular formula C20H24F3N3O2S and a molecular weight of 427.49 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24687921
Molecular FormulaC20H24F3N3O2S
Molecular Weight427.49 g/mol
Exact Mass427.15
IUPAC Name7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)CS2
InChIInChI=1S/C20H24F3N3O2S/c1-19-8-7-17(27)26(19)16(12-29-19)18(28)24-14-11-13(20(21,22)23)5-6-15(14)25-9-3-2-4-10-25/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,24,28)
InChIKeyCUUTVJSLTGSWTB-UHFFFAOYSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide 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 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24687921) is 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is CUUTVJSLTGSWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O2S/c1-19-8-7-17(27)26(19)16(12-29-19)18(28)24-14-11-13(20(21,22)23)5-6-15(14)25-9-3-2-4-10-25/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,24,28).
What are the key properties of 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 427.49 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24687921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).