N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C19H17F3N2OS2 — CID 55973944

IUPACN-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(Cc1ccsc1)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H17F3N2OS2/c1-12(8-13-6-7-26-10-13)23-17(25)9-16-11-27-18(24-16)14-2-4-15(5-3-14)19(20,21)22/h2-7,10-12H,8-9H2,1H3,(H,23,25)
InChIKeyYUQFRHSNKUXMOU-UHFFFAOYSA-N
MW410.49 g/mol
LogP5.18
Rot. Bonds6

About N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 55973944) has the molecular formula C19H17F3N2OS2 and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID55973944
Molecular FormulaC19H17F3N2OS2
Molecular Weight410.49 g/mol
Exact Mass410.07
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCC(Cc1ccsc1)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H17F3N2OS2/c1-12(8-13-6-7-26-10-13)23-17(25)9-16-11-27-18(24-16)14-2-4-15(5-3-14)19(20,21)22/h2-7,10-12H,8-9H2,1H3,(H,23,25)
InChIKeyYUQFRHSNKUXMOU-UHFFFAOYSA-N
XLogP5.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
(2R)-3-methyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 142371255
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-N-(2,2,2-trifluoro-1-phenylethyl)acetamide
CID 55794716
N-(4-methyl-1,3-thiazol-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18288555
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55515872
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203864
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
N-[4-(difluoromethoxy)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31762041
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 55973944) is N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CC(Cc1ccsc1)NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is YUQFRHSNKUXMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2OS2/c1-12(8-13-6-7-26-10-13)23-17(25)9-16-11-27-18(24-16)14-2-4-15(5-3-14)19(20,21)22/h2-7,10-12H,8-9H2,1H3,(H,23,25).
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 410.49 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55973944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).