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

C19H16F3N3OS — CID 110389693

IUPAC2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1csc(CCc2ccncc2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3OS/c20-19(21,22)14-2-1-3-15(10-14)24-17(26)11-16-12-27-18(25-16)5-4-13-6-8-23-9-7-13/h1-3,6-10,12H,4-5,11H2,(H,24,26)
InChIKeyNGQRTZOARHWQPW-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.52
Rot. Bonds6

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

2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 110389693) has the molecular formula C19H16F3N3OS and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID110389693
Molecular FormulaC19H16F3N3OS
Molecular Weight391.42 g/mol
Exact Mass391.10
IUPAC Name2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1csc(CCc2ccncc2)n1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16F3N3OS/c20-19(21,22)14-2-1-3-15(10-14)24-17(26)11-16-12-27-18(25-16)5-4-13-6-8-23-9-7-13/h1-3,6-10,12H,4-5,11H2,(H,24,26)
InChIKeyNGQRTZOARHWQPW-UHFFFAOYSA-N
XLogP4.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389703
N-(4-fluorophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389679
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110330068
N-(4-methoxyphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389689
3-(4-methyl-1,3-thiazol-2-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 110388516
2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21321154
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
[[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]amino] acetate
CID 21321153
N,2-dimethyl-N-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 21321161
N-(5-chloro-2-methylphenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389683
N-(4-bromophenyl)-2-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]acetamide
CID 30940674
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389584

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 110389693) is 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1csc(CCc2ccncc2)n1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NGQRTZOARHWQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3OS/c20-19(21,22)14-2-1-3-15(10-14)24-17(26)11-16-12-27-18(25-16)5-4-13-6-8-23-9-7-13/h1-3,6-10,12H,4-5,11H2,(H,24,26).
What are the key properties of 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 110389693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).