5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole

C19H22N4OS — CID 135119860

IUPAC5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1ncc(CN2CCCC(c3ncc[nH]3)C2)s1
InChIInChI=1S/C19H22N4OS/c1-24-17-7-3-2-6-16(17)19-22-11-15(25-19)13-23-10-4-5-14(12-23)18-20-8-9-21-18/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,20,21)
InChIKeyXVWFFEPAXYNOGX-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.92
Rot. Bonds5

About 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole

5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole (PubChem CID 135119860) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
PubChem CID135119860
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole
SMILESCOc1ccccc1-c1ncc(CN2CCCC(c3ncc[nH]3)C2)s1
InChIInChI=1S/C19H22N4OS/c1-24-17-7-3-2-6-16(17)19-22-11-15(25-19)13-23-10-4-5-14(12-23)18-20-8-9-21-18/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,20,21)
InChIKeyXVWFFEPAXYNOGX-UHFFFAOYSA-N
XLogP3.92
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]propanamide
CID 95708835
(3R,4R)-4-hydroxy-1-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 157011246
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95724370
3-[[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-methoxyquinoline
CID 97155322
1-[(4-fluorophenyl)methyl]-3-(1H-imidazol-2-yl)piperidine
CID 75512434
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118
[(3aS,7aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-3a-yl]methanol
CID 154811415
9-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77096294
(3S,8aR)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3-methyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione;formic acid
CID 171322080
2-(2-methoxyphenyl)-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249357
(3S)-1-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]piperidine-1,3-dicarboxamide
CID 126447621
4-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 131934227

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The IUPAC name of 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole (CID 135119860) is 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole.
What is the SMILES notation for 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The canonical SMILES for 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole is COc1ccccc1-c1ncc(CN2CCCC(c3ncc[nH]3)C2)s1.
What is the InChIKey of 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole?
The InChIKey is XVWFFEPAXYNOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-24-17-7-3-2-6-16(17)19-22-11-15(25-19)13-23-10-4-5-14(12-23)18-20-8-9-21-18/h2-3,6-9,11,14H,4-5,10,12-13H2,1H3,(H,20,21).
What are the key properties of 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole?
5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole has a molecular weight of 354.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1H-imidazol-2-yl)piperidin-1-yl]methyl]-2-(2-methoxyphenyl)-1,3-thiazole is sourced from PubChem (CID 135119860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).