(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

C21H26N2OS — CID 51669774

IUPAC(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2
InChIInChI=1S/C21H26N2OS/c1-14-17(25-18(22-14)15-8-6-5-7-9-15)19(24)23-13-21(4)11-16(23)10-20(2,3)12-21/h5-9,16H,10-13H2,1-4H3/t16-,21-/m0/s1
InChIKeyTUPDNAUFOQVZDL-KKSFZXQISA-N
MW354.52 g/mol
LogP5.16
Rot. Bonds2

About (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone

(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (PubChem CID 51669774) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
PubChem CID51669774
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2
InChIInChI=1S/C21H26N2OS/c1-14-17(25-18(22-14)15-8-6-5-7-9-15)19(24)23-13-21(4)11-16(23)10-20(2,3)12-21/h5-9,16H,10-13H2,1-4H3/t16-,21-/m0/s1
InChIKeyTUPDNAUFOQVZDL-KKSFZXQISA-N
XLogP5.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2-phenyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 11428193
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 11189393
(2,4-dimethyl-1,3-thiazol-5-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 11335336
[4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
CID 4711370
(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110309752
1,3,3-trimethyl-N,N-diphenyl-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5130823
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
[2-(methylaminomethyl)pyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119649171
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 98191388
4-hydroxy-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119250782
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120807964

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The IUPAC name of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone (CID 51669774) is (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone.
What is the SMILES notation for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The canonical SMILES for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2.
What is the InChIKey of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
The InChIKey is TUPDNAUFOQVZDL-KKSFZXQISA-N. The full InChI is InChI=1S/C21H26N2OS/c1-14-17(25-18(22-14)15-8-6-5-7-9-15)19(24)23-13-21(4)11-16(23)10-20(2,3)12-21/h5-9,16H,10-13H2,1-4H3/t16-,21-/m0/s1.
What are the key properties of (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone?
(4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone has a molecular weight of 354.52 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenyl-1,3-thiazol-5-yl)-[(1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone is sourced from PubChem (CID 51669774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).