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

C21H19FN4OS — CID 38715432

IUPAC2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C21H19FN4OS/c1-14-24-18-7-2-3-8-19(18)26(14)10-9-23-20(27)12-17-13-28-21(25-17)15-5-4-6-16(22)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,23,27)
InChIKeyFGUYAXXEJNWPGQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.97
Rot. Bonds6

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

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 38715432) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID38715432
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
SMILESCc1nc2ccccc2n1CCNC(=O)Cc1csc(-c2cccc(F)c2)n1
InChIInChI=1S/C21H19FN4OS/c1-14-24-18-7-2-3-8-19(18)26(14)10-9-23-20(27)12-17-13-28-21(25-17)15-5-4-6-16(22)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,23,27)
InChIKeyFGUYAXXEJNWPGQ-UHFFFAOYSA-N
XLogP3.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78823529
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 34256999
7-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]heptanoic acid
CID 119227175
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 22110735
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 78791822
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
1-[[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544926
2-(4-methoxyphenyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 40716430
2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
2-[[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetyl]amino]butanoic acid
CID 119223235
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
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-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide (CID 38715432) is 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is Cc1nc2ccccc2n1CCNC(=O)Cc1csc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is FGUYAXXEJNWPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-14-24-18-7-2-3-8-19(18)26(14)10-9-23-20(27)12-17-13-28-21(25-17)15-5-4-6-16(22)11-15/h2-8,11,13H,9-10,12H2,1H3,(H,23,27).
What are the key properties of 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide?
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 38715432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).