2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

C20H25F3N4OS — CID 55839744

IUPAC2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ncc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1
InChIInChI=1S/C20H25F3N4OS/c1-14-24-11-16(29-14)12-26(2)13-19(28)25-17-10-15(20(21,22)23)6-7-18(17)27-8-4-3-5-9-27/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3,(H,25,28)
InChIKeyVOONRQNWXCYQNH-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.53
Rot. Bonds6

About 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide

2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 55839744) has the molecular formula C20H25F3N4OS and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID55839744
Molecular FormulaC20H25F3N4OS
Molecular Weight426.51 g/mol
Exact Mass426.17
IUPAC Name2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESCc1ncc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1
InChIInChI=1S/C20H25F3N4OS/c1-14-24-11-16(29-14)12-26(2)13-19(28)25-17-10-15(20(21,22)23)6-7-18(17)27-8-4-3-5-9-27/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3,(H,25,28)
InChIKeyVOONRQNWXCYQNH-UHFFFAOYSA-N
XLogP4.53
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3987628
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119830300
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
N-(2,5-dimethylphenyl)-2-[methyl-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]amino]acetamide
CID 4818630
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
trans-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230652
2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 698325

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide (CID 55839744) is 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is Cc1ncc(CN(C)CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1.
What is the InChIKey of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VOONRQNWXCYQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4OS/c1-14-24-11-16(29-14)12-26(2)13-19(28)25-17-10-15(20(21,22)23)6-7-18(17)27-8-4-3-5-9-27/h6-7,10-11H,3-5,8-9,12-13H2,1-2H3,(H,25,28).
What are the key properties of 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide?
2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 426.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55839744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).