2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide

C20H18F2N2OS — CID 7518163

IUPAC2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H18F2N2OS/c1-13-18(26-20(24-13)15-3-2-4-17(22)12-15)9-10-23-19(25)11-14-5-7-16(21)8-6-14/h2-8,12H,9-11H2,1H3,(H,23,25)
InChIKeyBTIKNZLAAZOOQI-UHFFFAOYSA-N
MW372.44 g/mol
LogP4.30
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide (PubChem CID 7518163) has the molecular formula C20H18F2N2OS and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
PubChem CID7518163
Molecular FormulaC20H18F2N2OS
Molecular Weight372.44 g/mol
Exact Mass372.11
IUPAC Name2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide
SMILESCc1nc(-c2cccc(F)c2)sc1CCNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H18F2N2OS/c1-13-18(26-20(24-13)15-3-2-4-17(22)12-15)9-10-23-19(25)11-14-5-7-16(21)8-6-14/h2-8,12H,9-11H2,1H3,(H,23,25)
InChIKeyBTIKNZLAAZOOQI-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Fluorophenyl)-5-[2-[4-[(3-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
CID 10433314
(1R,2R)-N-(cyanomethyl)-5,5-difluoro-2-{2-methyl-4-[4-(methylsulfanyl)phenyl]-1,3-thiazol-5-yl}cyclohexane-1-carboxamide
CID 16747703
Thiazolopiperidine 76
CID 9983092
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl]butan-1-one
CID 10388027
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl}butan-1-one
CID 10412922
4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
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2-fluoro-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 7119106
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 16032033
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-4H,5H,6H,7H-pyrido[3,4-d][1,3]thiazol-5-yl]butan-1-one
CID 11269712
(3R)-3-amino-4-(2,5-difluorophenyl)-1-{2-methyl-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl}butan-1-one
CID 23645938
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(trifluoromethyl)-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl]butan-1-one
CID 23645939
(3R)-3-amino-4-(2,5-difluorophenyl)-1-[2-(4-fluorophenyl)-4H,5H,6H,7H-pyrido[4,3-d][1,3]thiazol-5-yl]butan-1-one
CID 23645940

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide (CID 7518163) is 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide is Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
The InChIKey is BTIKNZLAAZOOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2OS/c1-13-18(26-20(24-13)15-3-2-4-17(22)12-15)9-10-23-19(25)11-14-5-7-16(21)8-6-14/h2-8,12H,9-11H2,1H3,(H,23,25).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]acetamide is sourced from PubChem (CID 7518163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).