N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

C17H20F3N5OS — CID 129347190

IUPACN-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c2nccn21
InChIInChI=1S/C17H20F3N5OS/c1-10-8-12(14-21-4-7-25(10)14)22-16(26)24-5-2-11(3-6-24)15-23-13(9-27-15)17(18,19)20/h4,7,9-12H,2-3,5-6,8H2,1H3,(H,22,26)/t10-,12+/m0/s1
InChIKeyWJNPWJUSWWGROG-CMPLNLGQSA-N
MW399.44 g/mol
LogP3.95
Rot. Bonds2

About N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide

N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (PubChem CID 129347190) has the molecular formula C17H20F3N5OS and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
PubChem CID129347190
Molecular FormulaC17H20F3N5OS
Molecular Weight399.44 g/mol
Exact Mass399.13
IUPAC NameN-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
SMILESC[C@H]1C[C@@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c2nccn21
InChIInChI=1S/C17H20F3N5OS/c1-10-8-12(14-21-4-7-25(10)14)22-16(26)24-5-2-11(3-6-24)15-23-13(9-27-15)17(18,19)20/h4,7,9-12H,2-3,5-6,8H2,1H3,(H,22,26)/t10-,12+/m0/s1
InChIKeyWJNPWJUSWWGROG-CMPLNLGQSA-N
XLogP3.95
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-pyridazin-4-yl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 129488366
4-(4-fluorobenzoyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide
CID 128689855
oxiran-2-yl-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
CID 154880206
4-(5-fluoro-2-pyridinyl)-N-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)piperazine-1-carboxamide
CID 128629357
1-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-1-yl]pent-4-en-1-one
CID 122151843
(3R)-N-(2-methoxyethyl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide
CID 124595799
2-[(3R)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 124575843
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methyl-3-nitrophenyl)piperidine-1-carboxamide
CID 3865155
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615
1-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)urea
CID 154869861

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide (CID 129347190) is N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is C[C@H]1C[C@@H](NC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c2nccn21.
What is the InChIKey of N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is WJNPWJUSWWGROG-CMPLNLGQSA-N. The full InChI is InChI=1S/C17H20F3N5OS/c1-10-8-12(14-21-4-7-25(10)14)22-16(26)24-5-2-11(3-6-24)15-23-13(9-27-15)17(18,19)20/h4,7,9-12H,2-3,5-6,8H2,1H3,(H,22,26)/t10-,12+/m0/s1.
What are the key properties of N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide?
N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 129347190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).