N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C17H18F3N3OS — CID 119443831

IUPACN-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C1CCNCC1
InChIInChI=1S/C17H18F3N3OS/c1-23(13-5-7-21-8-6-13)16(24)14-10-25-15(22-14)11-3-2-4-12(9-11)17(18,19)20/h2-4,9-10,13,21H,5-8H2,1H3
InChIKeyWPLGMQWNBXPSFO-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.65
Rot. Bonds3

About N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 119443831) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID119443831
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC NameN-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C1CCNCC1
InChIInChI=1S/C17H18F3N3OS/c1-23(13-5-7-21-8-6-13)16(24)14-10-25-15(22-14)11-3-2-4-12(9-11)17(18,19)20/h2-4,9-10,13,21H,5-8H2,1H3
InChIKeyWPLGMQWNBXPSFO-UHFFFAOYSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119553730
2-[methyl-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119358794
N-methyl-N-piperidin-4-yl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119444395
3-[methyl-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119362647
N-(2-pyrrolidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119537157
N-cyclohexyl-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823386
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 139948557
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide;dihydrochloride
CID 119441255
N-(2-piperazin-1-ylethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119448321
N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119444482
2-(3-chlorophenyl)-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119824421
N-(3-amino-4-methylpentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119660482

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 119443831) is N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is WPLGMQWNBXPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c1-23(13-5-7-21-8-6-13)16(24)14-10-25-15(22-14)11-3-2-4-12(9-11)17(18,19)20/h2-4,9-10,13,21H,5-8H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119443831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).