N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide

C20H18F3N3O2S — CID 38846387

IUPACN-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1
InChIInChI=1S/C20H18F3N3O2S/c1-12-4-6-17(8-13(12)2)26(14(3)27)19-24-16(11-29-19)10-25-9-15(20(21,22)23)5-7-18(25)28/h4-9,11H,10H2,1-3H3
InChIKeyLLCUFLXJEFJXNF-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.67
Rot. Bonds4

About N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide

N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 38846387) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID38846387
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC NameN-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1
InChIInChI=1S/C20H18F3N3O2S/c1-12-4-6-17(8-13(12)2)26(14(3)27)19-24-16(11-29-19)10-25-9-15(20(21,22)23)5-7-18(25)28/h4-9,11H,10H2,1-3H3
InChIKeyLLCUFLXJEFJXNF-UHFFFAOYSA-N
XLogP4.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 38846387) is N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)N(c1ccc(C)c(C)c1)c1nc(Cn2cc(C(F)(F)F)ccc2=O)cs1.
What is the InChIKey of N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is LLCUFLXJEFJXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c1-12-4-6-17(8-13(12)2)26(14(3)27)19-24-16(11-29-19)10-25-9-15(20(21,22)23)5-7-18(25)28/h4-9,11H,10H2,1-3H3.
What are the key properties of N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide?
N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 421.44 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-N-[4-[[2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 38846387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).