(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone

C22H25N3O2S — CID 110221285

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2cnc(C3CCCN(C(=O)c4sc(C)nc4C)C3)cc2c1C
InChIInChI=1S/C22H25N3O2S/c1-13-18-10-19(23-11-16(18)7-8-20(13)27-4)17-6-5-9-25(12-17)22(26)21-14(2)24-15(3)28-21/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyVEHGEJICSJXRHJ-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.64
Rot. Bonds3

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone (PubChem CID 110221285) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
PubChem CID110221285
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2cnc(C3CCCN(C(=O)c4sc(C)nc4C)C3)cc2c1C
InChIInChI=1S/C22H25N3O2S/c1-13-18-10-19(23-11-16(18)7-8-20(13)27-4)17-6-5-9-25(12-17)22(26)21-14(2)24-15(3)28-21/h7-8,10-11,17H,5-6,9,12H2,1-4H3
InChIKeyVEHGEJICSJXRHJ-UHFFFAOYSA-N
XLogP4.64
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,5-difluorophenyl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone
CID 110221278
[(3S)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]-[(5R)-5-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]methanone
CID 95849481
2-(3-fluorophenyl)-1-[(3R)-3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]ethanone
CID 92606292
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125022774
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 95274470
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 155533168
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidin-1-yl]methanone
CID 155983028
[(3S)-3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 95834881
6-methoxy-5-methyl-3-piperidin-4-ylisoquinoline;dihydrochloride
CID 44596838
[(3S)-3-isoquinolin-3-ylpiperidin-1-yl]-(5-methoxythiophen-2-yl)methanone
CID 92598369
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone (CID 110221285) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone is COc1ccc2cnc(C3CCCN(C(=O)c4sc(C)nc4C)C3)cc2c1C.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone?
The InChIKey is VEHGEJICSJXRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-13-18-10-19(23-11-16(18)7-8-20(13)27-4)17-6-5-9-25(12-17)22(26)21-14(2)24-15(3)28-21/h7-8,10-11,17H,5-6,9,12H2,1-4H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone has a molecular weight of 395.53 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-(6-methoxy-5-methylisoquinolin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110221285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).