About N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 11950966) has the molecular formula C22H22F3N5O2S
and a molecular weight of 477.51 g/mol. Its IUPAC name is N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.
Molecular Properties
| Compound Name | N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide |
|---|
| PubChem CID | 11950966 |
|---|
| Molecular Formula | C22H22F3N5O2S |
|---|
| Molecular Weight | 477.51 g/mol |
|---|
| Exact Mass | 477.14 |
|---|
| IUPAC Name | N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide |
|---|
| SMILES | O=C(c1cscn1)N(Cc1cccc(OC(F)(F)F)c1)CC1C2CN(Cc3cnc[nH]3)CC21 |
|---|
| InChI | InChI=1S/C22H22F3N5O2S/c23-22(24,25)32-16-3-1-2-14(4-16)6-30(21(31)20-11-33-13-28-20)10-19-17-8-29(9-18(17)19)7-15-5-26-12-27-15/h1-5,11-13,17-19H,6-10H2,(H,26,27) |
|---|
| InChIKey | YJVIYLIJDFNBSE-UHFFFAOYSA-N |
|---|
| XLogP | 3.79 |
|---|
| TPSA | 74.35 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 33 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 477.51 |
| LogP ≤ 5 | 3.79 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-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 N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 11950966) is N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(Cc1cccc(OC(F)(F)F)c1)CC1C2CN(Cc3cnc[nH]3)CC21.
What is the InChIKey of N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YJVIYLIJDFNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O2S/c23-22(24,25)32-16-3-1-2-14(4-16)6-30(21(31)20-11-33-13-28-20)10-19-17-8-29(9-18(17)19)7-15-5-26-12-27-15/h1-5,11-13,17-19H,6-10H2,(H,26,27).
What are the key properties of N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide?
N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 477.51 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1H-imidazol-5-ylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11950966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).