N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide

C23H25F3N4O2S — CID 168986869

IUPACN-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCCC3C[C@@H]4CN(CC(F)(F)F)C[C@@H]4C3)cc12)c1cscn1
InChIInChI=1S/C23H25F3N4O2S/c24-23(25,26)12-30-9-15-5-14(6-16(15)10-30)3-4-32-17-1-2-19-18(7-17)20(8-27-19)29-22(31)21-11-33-13-28-21/h1-2,7-8,11,13-16,27H,3-6,9-10,12H2,(H,29,31)/t14?,15-,16+
InChIKeyRAMOPEZWRYYHDK-MQVJKMGUSA-N
MW478.54 g/mol
LogP5.17
Rot. Bonds7

About N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide

N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 168986869) has the molecular formula C23H25F3N4O2S and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID168986869
Molecular FormulaC23H25F3N4O2S
Molecular Weight478.54 g/mol
Exact Mass478.17
IUPAC NameN-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2ccc(OCCC3C[C@@H]4CN(CC(F)(F)F)C[C@@H]4C3)cc12)c1cscn1
InChIInChI=1S/C23H25F3N4O2S/c24-23(25,26)12-30-9-15-5-14(6-16(15)10-30)3-4-32-17-1-2-19-18(7-17)20(8-27-19)29-22(31)21-11-33-13-28-21/h1-2,7-8,11,13-16,27H,3-6,9-10,12H2,(H,29,31)/t14?,15-,16+
InChIKeyRAMOPEZWRYYHDK-MQVJKMGUSA-N
XLogP5.17
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.54
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide (CID 168986869) is N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1c[nH]c2ccc(OCCC3C[C@@H]4CN(CC(F)(F)F)C[C@@H]4C3)cc12)c1cscn1.
What is the InChIKey of N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RAMOPEZWRYYHDK-MQVJKMGUSA-N. The full InChI is InChI=1S/C23H25F3N4O2S/c24-23(25,26)12-30-9-15-5-14(6-16(15)10-30)3-4-32-17-1-2-19-18(7-17)20(8-27-19)29-22(31)21-11-33-13-28-21/h1-2,7-8,11,13-16,27H,3-6,9-10,12H2,(H,29,31)/t14?,15-,16+.
What are the key properties of N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide?
N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(3aS,6aR)-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethoxy]-1H-indol-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 168986869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).