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

C20H23ClF3N3O2S — CID 118630392

IUPACN-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOC1(C)CCCN(Cc2sc(NC(C)=O)nc2-c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23ClF3N3O2S/c1-12(28)25-18-26-17(13-5-6-15(21)14(9-13)20(22,23)24)16(30-18)10-27-8-4-7-19(2,11-27)29-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,25,26,28)
InChIKeyQNIJNGOXGBDZGK-UHFFFAOYSA-N
MW461.94 g/mol
LogP5.44
Rot. Bonds5

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

N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 118630392) has the molecular formula C20H23ClF3N3O2S and a molecular weight of 461.94 g/mol. Its IUPAC name is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID118630392
Molecular FormulaC20H23ClF3N3O2S
Molecular Weight461.94 g/mol
Exact Mass461.12
IUPAC NameN-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCOC1(C)CCCN(Cc2sc(NC(C)=O)nc2-c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23ClF3N3O2S/c1-12(28)25-18-26-17(13-5-6-15(21)14(9-13)20(22,23)24)16(30-18)10-27-8-4-7-19(2,11-27)29-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,25,26,28)
InChIKeyQNIJNGOXGBDZGK-UHFFFAOYSA-N
XLogP5.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.94
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 76282900
4-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 118619649
N-[4-[3-chloro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 118641329
4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 118909335
4-[4-Chloro-3-(trifluoromethyl)phenyl]-5-(4-methoxypiperidin-1-yl)-1,3-thiazol-2-amine
CID 118909342
ethyl 3-[(2S)-4-[6-[[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-5-fluoro-1,2-dihydropyrimidin-4-yl]-2-(methoxymethyl)piperazin-1-yl]propanoate
CID 118909466
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 118909473
N-[4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 129016380
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 129016411
N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 129016645
N-[5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 130225590
4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3S)-3-methoxypiperidin-1-yl]-1,3-thiazol-2-amine
CID 130254029

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide (CID 118630392) is N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is COC1(C)CCCN(Cc2sc(NC(C)=O)nc2-c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is QNIJNGOXGBDZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N3O2S/c1-12(28)25-18-26-17(13-5-6-15(21)14(9-13)20(22,23)24)16(30-18)10-27-8-4-7-19(2,11-27)29-3/h5-6,9H,4,7-8,10-11H2,1-3H3,(H,25,26,28).
What are the key properties of N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 461.94 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 118630392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).