2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide

C21H19FN4OS — CID 53173066

IUPAC2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
SMILESCCn1cc(-c2nc(CC(=O)Nc3cc(C)ccc3F)cs2)c2cccnc21
InChIInChI=1S/C21H19FN4OS/c1-3-26-11-16(15-5-4-8-23-20(15)26)21-24-14(12-28-21)10-19(27)25-18-9-13(2)6-7-17(18)22/h4-9,11-12H,3,10H2,1-2H3,(H,25,27)
InChIKeyNFMSDQJVFNPYKW-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.81
Rot. Bonds5

About 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide

2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide (PubChem CID 53173066) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
PubChem CID53173066
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
SMILESCCn1cc(-c2nc(CC(=O)Nc3cc(C)ccc3F)cs2)c2cccnc21
InChIInChI=1S/C21H19FN4OS/c1-3-26-11-16(15-5-4-8-23-20(15)26)21-24-14(12-28-21)10-19(27)25-18-9-13(2)6-7-17(18)22/h4-9,11-12H,3,10H2,1-2H3,(H,25,27)
InChIKeyNFMSDQJVFNPYKW-UHFFFAOYSA-N
XLogP4.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 53173071
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]acetamide
CID 53173029
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53173070
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
N-(2-fluoro-5-methylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31761357
N-(2,5-difluorophenyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 60594922
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53173153
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 16591781
N-(2,4-difluorophenyl)-2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53144316
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53173158
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide (CID 53173066) is 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide is CCn1cc(-c2nc(CC(=O)Nc3cc(C)ccc3F)cs2)c2cccnc21.
What is the InChIKey of 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide?
The InChIKey is NFMSDQJVFNPYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-3-26-11-16(15-5-4-8-23-20(15)26)21-24-14(12-28-21)10-19(27)25-18-9-13(2)6-7-17(18)22/h4-9,11-12H,3,10H2,1-2H3,(H,25,27).
What are the key properties of 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide?
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide is sourced from PubChem (CID 53173066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).