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

C17H19F3N2OS — CID 68553109

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)c1csc(CNC(=O)Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N2OS/c1-16(2,3)13-10-24-15(22-13)9-21-14(23)8-11-5-4-6-12(7-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23)
InChIKeyIVCINVKGPMVNSM-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.32
Rot. Bonds4

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

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 68553109) has the molecular formula C17H19F3N2OS and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID68553109
Molecular FormulaC17H19F3N2OS
Molecular Weight356.41 g/mol
Exact Mass356.12
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(C)c1csc(CNC(=O)Cc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N2OS/c1-16(2,3)13-10-24-15(22-13)9-21-14(23)8-11-5-4-6-12(7-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23)
InChIKeyIVCINVKGPMVNSM-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119878887
N-[[4-(2-methylpentan-2-yl)phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 69341997
4-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanamide
CID 119878910
N-(6-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 17396525
2-(4-methylsulfonylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 5223974
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 55702716
N-[(4-methyl-1H-pyrazol-5-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 155953936
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
4-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 116557886
2-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 2569861
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-one
CID 116563946

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 68553109) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)(C)c1csc(CNC(=O)Cc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IVCINVKGPMVNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2OS/c1-16(2,3)13-10-24-15(22-13)9-21-14(23)8-11-5-4-6-12(7-11)17(18,19)20/h4-7,10H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 356.41 g/mol, XLogP of 4.32, 4 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)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 68553109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).