[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

C18H22N2O3S — CID 24712994

IUPAC[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1OCc1nc(C(=O)N2CCC(C)CC2)cs1
InChIInChI=1S/C18H22N2O3S/c1-13-7-9-20(10-8-13)18(21)14-12-24-17(19-14)11-23-16-6-4-3-5-15(16)22-2/h3-6,12-13H,7-11H2,1-2H3
InChIKeyYVYCYNNDUJPVAA-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.60
Rot. Bonds5

About [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone

[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 24712994) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID24712994
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccccc1OCc1nc(C(=O)N2CCC(C)CC2)cs1
InChIInChI=1S/C18H22N2O3S/c1-13-7-9-20(10-8-13)18(21)14-12-24-17(19-14)11-23-16-6-4-3-5-15(16)22-2/h3-6,12-13H,7-11H2,1-2H3
InChIKeyYVYCYNNDUJPVAA-UHFFFAOYSA-N
XLogP3.60
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-{[2-(2,3-Dihydro-1,4-benzodioxin-2-yl)-1,3-thiazol-4-yl]carbonyl}morpholine
CID 2821632
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(3-sulfanylpropyl)thiazole-4-carboxamide
CID 493396
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](piperidino)methanone
CID 1472641
[2-(4-Methoxybenzyl)-1,3-thiazol-4-yl](morpholino)methanone
CID 1472612
1-[(2R)-2-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 67356827
2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N,N-dimethyl-1,3-thiazole-4-carboxamide
CID 2821634
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)benzamide
CID 46009265
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)butanamide
CID 168269504
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)hexanamide
CID 168289073
[2-(2,3-Dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 11220811

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 24712994) is [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is COc1ccccc1OCc1nc(C(=O)N2CCC(C)CC2)cs1.
What is the InChIKey of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YVYCYNNDUJPVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13-7-9-20(10-8-13)18(21)14-12-24-17(19-14)11-23-16-6-4-3-5-15(16)22-2/h3-6,12-13H,7-11H2,1-2H3.
What are the key properties of [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone?
[2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 346.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 24712994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).