2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

C14H14F3N3OS — CID 120668636

IUPAC2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C14H14F3N3OS/c1-8-2-4-9(5-3-8)12(18)13(21)19-6-11-20-10(7-22-11)14(15,16)17/h2-5,7,12H,6,18H2,1H3,(H,19,21)
InChIKeyCESIIJYSRHMDOO-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.79
Rot. Bonds4

About 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide

2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (PubChem CID 120668636) has the molecular formula C14H14F3N3OS and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
PubChem CID120668636
Molecular FormulaC14H14F3N3OS
Molecular Weight329.35 g/mol
Exact Mass329.08
IUPAC Name2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
SMILESCc1ccc(C(N)C(=O)NCc2nc(C(F)(F)F)cs2)cc1
InChIInChI=1S/C14H14F3N3OS/c1-8-2-4-9(5-3-8)12(18)13(21)19-6-11-20-10(7-22-11)14(15,16)17/h2-5,7,12H,6,18H2,1H3,(H,19,21)
InChIKeyCESIIJYSRHMDOO-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 106312493
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
2-amino-2-(4-methylphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 106151636
2-amino-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pentanamide;hydrochloride
CID 119328988
2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
2-amino-2-(4-methylphenyl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 106151252
2-amino-2-(4-methylphenyl)-N-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]acetamide
CID 120667053
2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120793994
2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119897370
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354
2-amino-2-(4-methylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 106151234
2-amino-2-(4-methylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 120669527

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The IUPAC name of 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide (CID 120668636) is 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is Cc1ccc(C(N)C(=O)NCc2nc(C(F)(F)F)cs2)cc1.
What is the InChIKey of 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
The InChIKey is CESIIJYSRHMDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3OS/c1-8-2-4-9(5-3-8)12(18)13(21)19-6-11-20-10(7-22-11)14(15,16)17/h2-5,7,12H,6,18H2,1H3,(H,19,21).
What are the key properties of 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide?
2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide has a molecular weight of 329.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methylphenyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide is sourced from PubChem (CID 120668636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).