N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide

C16H16ClF3N2OS — CID 166634928

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16ClF3N2OS/c1-15(2,3)12-8-24-14(21-12)22-13(23)6-9-4-10(16(18,19)20)7-11(17)5-9/h4-5,7-8H,6H2,1-3H3,(H,21,22,23)
InChIKeyXLSXIJABJPWZCI-UHFFFAOYSA-N
MW376.83 g/mol
LogP5.29
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 166634928) has the molecular formula C16H16ClF3N2OS and a molecular weight of 376.83 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID166634928
Molecular FormulaC16H16ClF3N2OS
Molecular Weight376.83 g/mol
Exact Mass376.06
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)c1csc(NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C16H16ClF3N2OS/c1-15(2,3)12-8-24-14(21-12)22-13(23)6-9-4-10(16(18,19)20)7-11(17)5-9/h4-5,7-8H,6H2,1-3H3,(H,21,22,23)
InChIKeyXLSXIJABJPWZCI-UHFFFAOYSA-N
XLogP5.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.83
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(difluoromethoxy)phenyl]acetamide
CID 86897326
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chloropropanamide
CID 60650220
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 4619806
2-(1,3-benzodioxol-5-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 41107614
4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 6465782
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 42995912
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534982
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
6-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylhexanamide
CID 65292225
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80618012
2-(1-benzothiophen-3-yl)-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide
CID 142538886
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 166634928) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide is CC(C)(C)c1csc(NC(=O)Cc2cc(Cl)cc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is XLSXIJABJPWZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N2OS/c1-15(2,3)12-8-24-14(21-12)22-13(23)6-9-4-10(16(18,19)20)7-11(17)5-9/h4-5,7-8H,6H2,1-3H3,(H,21,22,23).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 376.83 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 166634928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).