2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C19H25N3O2S — CID 108745667

IUPAC2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(CN2CCCCC2C)s1
InChIInChI=1S/C19H25N3O2S/c1-14-7-3-4-9-17(14)24-13-18(23)21-19-20-11-16(25-19)12-22-10-6-5-8-15(22)2/h3-4,7,9,11,15H,5-6,8,10,12-13H2,1-2H3,(H,20,21,23)
InChIKeyFLIQPMZBNIKPSO-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.84
Rot. Bonds6

About 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 108745667) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID108745667
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1ncc(CN2CCCCC2C)s1
InChIInChI=1S/C19H25N3O2S/c1-14-7-3-4-9-17(14)24-13-18(23)21-19-20-11-16(25-19)12-22-10-6-5-8-15(22)2/h3-4,7,9,11,15H,5-6,8,10,12-13H2,1-2H3,(H,20,21,23)
InChIKeyFLIQPMZBNIKPSO-UHFFFAOYSA-N
XLogP3.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108768000
2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
2-(2-methoxyethoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745632
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108806611
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methylphenoxy)acetamide
CID 23760784
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 108767952
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108800608
(E)-3-(4-fluorophenyl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108767973
4-(1,3-dioxoisoindol-2-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767940
2-(4,6-dimethyl-1,2-benzoxazol-3-yl)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745706
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108802091

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 108745667) is 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1ccccc1OCC(=O)Nc1ncc(CN2CCCCC2C)s1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FLIQPMZBNIKPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-7-3-4-9-17(14)24-13-18(23)21-19-20-11-16(25-19)12-22-10-6-5-8-15(22)2/h3-4,7,9,11,15H,5-6,8,10,12-13H2,1-2H3,(H,20,21,23).
What are the key properties of 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108745667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).