2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C21H20N4OS — CID 53173158

IUPAC2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCn1cc(-c2nc(C(=O)NCc3ccccc3C)cs2)c2cccnc21
InChIInChI=1S/C21H20N4OS/c1-3-25-12-17(16-9-6-10-22-19(16)25)21-24-18(13-27-21)20(26)23-11-15-8-5-4-7-14(15)2/h4-10,12-13H,3,11H2,1-2H3,(H,23,26)
InChIKeyKRQRUEPRFMUHBV-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.42
Rot. Bonds5

About 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 53173158) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID53173158
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCn1cc(-c2nc(C(=O)NCc3ccccc3C)cs2)c2cccnc21
InChIInChI=1S/C21H20N4OS/c1-3-25-12-17(16-9-6-10-22-19(16)25)21-24-18(13-27-21)20(26)23-11-15-8-5-4-7-14(15)2/h4-10,12-13H,3,11H2,1-2H3,(H,23,26)
InChIKeyKRQRUEPRFMUHBV-UHFFFAOYSA-N
XLogP4.42
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53173153
N-[(2-methylphenyl)methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 9488971
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53173070
N-[(2-methylphenyl)methyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110647947
N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 50848178
N-[(2-methylphenyl)methyl]-2-(2-piperidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036751
1-ethyl-N-[(2-methylphenyl)methyl]pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 53174043
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 53173066
1-ethyl-7-methyl-4-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 121177750
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
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(3-fluoro-4-methoxyphenyl)acetamide
CID 53173071

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 53173158) is 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is CCn1cc(-c2nc(C(=O)NCc3ccccc3C)cs2)c2cccnc21.
What is the InChIKey of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KRQRUEPRFMUHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-3-25-12-17(16-9-6-10-22-19(16)25)21-24-18(13-27-21)20(26)23-11-15-8-5-4-7-14(15)2/h4-10,12-13H,3,11H2,1-2H3,(H,23,26).
What are the key properties of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53173158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).