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

C20H17FN4OS — CID 53173153

IUPAC2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCn1cc(-c2nc(C(=O)NCc3ccccc3F)cs2)c2cccnc21
InChIInChI=1S/C20H17FN4OS/c1-2-25-11-15(14-7-5-9-22-18(14)25)20-24-17(12-27-20)19(26)23-10-13-6-3-4-8-16(13)21/h3-9,11-12H,2,10H2,1H3,(H,23,26)
InChIKeyIGFYWUAFQFOTJU-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.25
Rot. Bonds5

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

2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 53173153) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID53173153
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCCn1cc(-c2nc(C(=O)NCc3ccccc3F)cs2)c2cccnc21
InChIInChI=1S/C20H17FN4OS/c1-2-25-11-15(14-7-5-9-22-18(14)25)20-24-17(12-27-20)19(26)23-10-13-6-3-4-8-16(13)21/h3-9,11-12H,2,10H2,1H3,(H,23,26)
InChIKeyIGFYWUAFQFOTJU-UHFFFAOYSA-N
XLogP4.25
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53173158
N-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 50848178
2-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 53173070
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-(3-fluoro-4-methoxyphenyl)acetamide
CID 53173071
N-(2,4-difluorophenyl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carboxamide
CID 50848152
N-[[2-(difluoromethoxy)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008423
N-[(2-fluorophenyl)methyl]-1,8-naphthyridine-2-carboxamide
CID 16728138
N-[(2-fluoro-3-pyridinyl)methyl]-2-[4-[methyl(propanoyl)amino]phenyl]-1,3-thiazole-4-carboxamide
CID 165379459
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
4-amino-1-ethyl-N-[(2-fluorophenyl)methyl]pyrrole-2-carboxamide
CID 43642339
2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 42866302

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide (CID 53173153) is 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is CCn1cc(-c2nc(C(=O)NCc3ccccc3F)cs2)c2cccnc21.
What is the InChIKey of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is IGFYWUAFQFOTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-2-25-11-15(14-7-5-9-22-18(14)25)20-24-17(12-27-20)19(26)23-10-13-6-3-4-8-16(13)21/h3-9,11-12H,2,10H2,1H3,(H,23,26).
What are the key properties of 2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 4.25, 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-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53173153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).