(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

C18H22N2OS — CID 75423131

IUPAC(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2ccc(C(=O)N3CC(C)CCC3C)cc2)n1
InChIInChI=1S/C18H22N2OS/c1-12-4-5-14(3)20(10-12)18(21)16-8-6-15(7-9-16)17-19-13(2)11-22-17/h6-9,11-12,14H,4-5,10H2,1-3H3
InChIKeyCYLCTUWRYSWWFB-UHFFFAOYSA-N
MW314.45 g/mol
LogP4.38
Rot. Bonds2

About (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 75423131) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
PubChem CID75423131
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2ccc(C(=O)N3CC(C)CCC3C)cc2)n1
InChIInChI=1S/C18H22N2OS/c1-12-4-5-14(3)20(10-12)18(21)16-8-6-15(7-9-16)17-19-13(2)11-22-17/h6-9,11-12,14H,4-5,10H2,1-3H3
InChIKeyCYLCTUWRYSWWFB-UHFFFAOYSA-N
XLogP4.38
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-(1,4-dimethylpiperidin-4-yl)-1,3-thiazol-4-yl]benzamide
CID 11641509
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzamide
CID 11705688
N-ethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1139360
2-{2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl}-1H-isoindole-1,3(2H)-dione
CID 1473492
4-methyl-N-[4-(2-methyl-4-thiazolyl)phenyl]benzamide
CID 2501115
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]benzamide
CID 3734285
2,6-difluoro-N-(2-(2-phenylthiazol-4-yl)ethyl)benzamide
CID 16194573
N-(2-(2-phenylthiazol-4-yl)ethyl)cyclopentanecarboxamide
CID 18554625

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (CID 75423131) is (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is Cc1csc(-c2ccc(C(=O)N3CC(C)CCC3C)cc2)n1.
What is the InChIKey of (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is CYLCTUWRYSWWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-12-4-5-14(3)20(10-12)18(21)16-8-6-15(7-9-16)17-19-13(2)11-22-17/h6-9,11-12,14H,4-5,10H2,1-3H3.
What are the key properties of (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
(2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 314.45 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpiperidin-1-yl)-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 75423131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).