2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

C20H26ClN3O2S — CID 108768000

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(OCC(=O)Nc2ncc(CN3CCCCC3C)s2)cc(C)c1Cl
InChIInChI=1S/C20H26ClN3O2S/c1-13-8-16(9-14(2)19(13)21)26-12-18(25)23-20-22-10-17(27-20)11-24-7-5-4-6-15(24)3/h8-10,15H,4-7,11-12H2,1-3H3,(H,22,23,25)
InChIKeyXHMIVWCGXMAGMA-UHFFFAOYSA-N
MW407.97 g/mol
LogP4.81
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 108768000) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID108768000
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cc(OCC(=O)Nc2ncc(CN3CCCCC3C)s2)cc(C)c1Cl
InChIInChI=1S/C20H26ClN3O2S/c1-13-8-16(9-14(2)19(13)21)26-12-18(25)23-20-22-10-17(27-20)11-24-7-5-4-6-15(24)3/h8-10,15H,4-7,11-12H2,1-3H3,(H,22,23,25)
InChIKeyXHMIVWCGXMAGMA-UHFFFAOYSA-N
XLogP4.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745708
2-(2-methylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 108745667
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
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-(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
N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 108767902
2,3,4-trifluoro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108745642
N-(4,6-dimethylpyrimidin-2-yl)-5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 108778404
2-bromo-3,4,5-trimethoxy-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 108767931
7-chloro-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 108799662
(E)-3-[4-[(2-chlorophenyl)methoxy]phenyl]-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 108767961

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 108768000) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cc(OCC(=O)Nc2ncc(CN3CCCCC3C)s2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XHMIVWCGXMAGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2S/c1-13-8-16(9-14(2)19(13)21)26-12-18(25)23-20-22-10-17(27-20)11-24-7-5-4-6-15(24)3/h8-10,15H,4-7,11-12H2,1-3H3,(H,22,23,25).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 407.97 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 108768000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).