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

C21H19FN4O2S — CID 53173071

IUPAC2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCCn1cc(-c2nc(CC(=O)Nc3ccc(OC)c(F)c3)cs2)c2cccnc21
InChIInChI=1S/C21H19FN4O2S/c1-3-26-11-16(15-5-4-8-23-20(15)26)21-25-14(12-29-21)10-19(27)24-13-6-7-18(28-2)17(22)9-13/h4-9,11-12H,3,10H2,1-2H3,(H,24,27)
InChIKeyBXWHIDZUVBIHRA-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.51
Rot. Bonds6

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

2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide (PubChem CID 53173071) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
PubChem CID53173071
Molecular FormulaC21H19FN4O2S
Molecular Weight410.47 g/mol
Exact Mass410.12
IUPAC Name2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
SMILESCCn1cc(-c2nc(CC(=O)Nc3ccc(OC)c(F)c3)cs2)c2cccnc21
InChIInChI=1S/C21H19FN4O2S/c1-3-26-11-16(15-5-4-8-23-20(15)26)21-25-14(12-29-21)10-19(27)24-13-6-7-18(28-2)17(22)9-13/h4-9,11-12H,3,10H2,1-2H3,(H,24,27)
InChIKeyBXWHIDZUVBIHRA-UHFFFAOYSA-N
XLogP4.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2-fluoro-5-methylphenyl)acetamide
CID 53173066
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53173070
N-[4-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55796754
N-(3,4-dimethoxyphenyl)-1-ethylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162905
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
N-(3-acetamido-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 37081428
N-(5-chloro-2-methoxyphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 25477825
2-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 113427666
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 55450669
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965

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-(3-fluoro-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide (CID 53173071) is 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide is CCn1cc(-c2nc(CC(=O)Nc3ccc(OC)c(F)c3)cs2)c2cccnc21.
What is the InChIKey of 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide?
The InChIKey is BXWHIDZUVBIHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-3-26-11-16(15-5-4-8-23-20(15)26)21-25-14(12-29-21)10-19(27)24-13-6-7-18(28-2)17(22)9-13/h4-9,11-12H,3,10H2,1-2H3,(H,24,27).
What are the key properties of 2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide?
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide has a molecular weight of 410.47 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-(3-fluoro-4-methoxyphenyl)acetamide is sourced from PubChem (CID 53173071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).