2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C20H15F4N3O2S — CID 34759291

IUPAC2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C20H15F4N3O2S/c21-13-5-3-4-12(8-13)19-26-14(10-30-19)9-17(28)27-16-7-2-1-6-15(16)18(29)25-11-20(22,23)24/h1-8,10H,9,11H2,(H,25,29)(H,27,28)
InChIKeyWNOKJNOFDLEYCY-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.42
Rot. Bonds6

About 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 34759291) has the molecular formula C20H15F4N3O2S and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID34759291
Molecular FormulaC20H15F4N3O2S
Molecular Weight437.42 g/mol
Exact Mass437.08
IUPAC Name2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C20H15F4N3O2S/c21-13-5-3-4-12(8-13)19-26-14(10-30-19)9-17(28)27-16-7-2-1-6-15(16)18(29)25-11-20(22,23)24/h1-8,10H,9,11H2,(H,25,29)(H,27,28)
InChIKeyWNOKJNOFDLEYCY-UHFFFAOYSA-N
XLogP4.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 134044674
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-quinolin-8-ylacetamide
CID 8850099
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 18189734
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55507894
2-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-ethylbenzamide
CID 35361449
N-cyclopentyl-2-[[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 30346090
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
N-cyclopentyl-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 26722000

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 34759291) is 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WNOKJNOFDLEYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O2S/c21-13-5-3-4-12(8-13)19-26-14(10-30-19)9-17(28)27-16-7-2-1-6-15(16)18(29)25-11-20(22,23)24/h1-8,10H,9,11H2,(H,25,29)(H,27,28).
What are the key properties of 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 437.42 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 34759291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).