(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone

C21H19F3N4OS — CID 95819954

IUPAC(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C21H19F3N4OS/c1-13-19(30-12-26-13)20(29)28-7-3-5-15(11-28)18-10-25-9-17(27-18)14-4-2-6-16(8-14)21(22,23)24/h2,4,6,8-10,12,15H,3,5,7,11H2,1H3/t15-/m1/s1
InChIKeyICXZGPQRVXCMMU-OAHLLOKOSA-N
MW432.47 g/mol
LogP4.95
Rot. Bonds3

About (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone

(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone (PubChem CID 95819954) has the molecular formula C21H19F3N4OS and a molecular weight of 432.47 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone
PubChem CID95819954
Molecular FormulaC21H19F3N4OS
Molecular Weight432.47 g/mol
Exact Mass432.12
IUPAC Name(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone
SMILESCc1ncsc1C(=O)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1
InChIInChI=1S/C21H19F3N4OS/c1-13-19(30-12-26-13)20(29)28-7-3-5-15(11-28)18-10-25-9-17(27-18)14-4-2-6-16(8-14)21(22,23)24/h2,4,6,8-10,12,15H,3,5,7,11H2,1H3/t15-/m1/s1
InChIKeyICXZGPQRVXCMMU-OAHLLOKOSA-N
XLogP4.95
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-[6-(3-chlorophenyl)-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95810181
3-[6-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]benzamide
CID 110249773
1-piperidin-1-yl-2-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819609
2-phenyl-1-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819693
(1-methylimidazol-2-yl)-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810580
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
(1-methylimidazol-2-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810581
1-morpholin-4-yl-2-[3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255279
[(3R)-3-[6-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95819758
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95819263
(4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 125005367
1H-pyrazol-5-yl-[(3S)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95810136

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone (CID 95819954) is (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone is Cc1ncsc1C(=O)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1.
What is the InChIKey of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone?
The InChIKey is ICXZGPQRVXCMMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19F3N4OS/c1-13-19(30-12-26-13)20(29)28-7-3-5-15(11-28)18-10-25-9-17(27-18)14-4-2-6-16(8-14)21(22,23)24/h2,4,6,8-10,12,15H,3,5,7,11H2,1H3/t15-/m1/s1.
What are the key properties of (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone?
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone has a molecular weight of 432.47 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-5-yl)-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 95819954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).