N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide

C15H22F3N3OS — CID 84598029

IUPACN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCc1nc(C)c(CCNC(=O)CN2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C15H22F3N3OS/c1-10-13(23-11(2)20-10)3-6-19-14(22)9-21-7-4-12(5-8-21)15(16,17)18/h12H,3-9H2,1-2H3,(H,19,22)
InChIKeyLXMLSHJMZPEOEE-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.69
Rot. Bonds5

About N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 84598029) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID84598029
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC NameN-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESCc1nc(C)c(CCNC(=O)CN2CCC(C(F)(F)F)CC2)s1
InChIInChI=1S/C15H22F3N3OS/c1-10-13(23-11(2)20-10)3-6-19-14(22)9-21-7-4-12(5-8-21)15(16,17)18/h12H,3-9H2,1-2H3,(H,19,22)
InChIKeyLXMLSHJMZPEOEE-UHFFFAOYSA-N
XLogP2.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704422
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]cyclopentanecarboxamide
CID 110395068
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentanamide
CID 110395064
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111520426
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122001403
ethyl 4-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]piperidine-1-carboxylate
CID 71921306
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,6-difluorobenzamide
CID 7222725
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-propylpropanamide
CID 110678784
(3R)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methylpropoxy)pyrrolidine-1-carboxamide
CID 97067014
2-(4-aminophenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide;dihydrochloride
CID 119882678
1-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-[[(3R)-oxolan-3-yl]methyl]urea
CID 95617014

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide (CID 84598029) is N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide is Cc1nc(C)c(CCNC(=O)CN2CCC(C(F)(F)F)CC2)s1.
What is the InChIKey of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is LXMLSHJMZPEOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3OS/c1-10-13(23-11(2)20-10)3-6-19-14(22)9-21-7-4-12(5-8-21)15(16,17)18/h12H,3-9H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide?
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 349.42 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 84598029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).