N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide

C21H20N6OS — CID 75203084

IUPACN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)NC2CCN(c3nccn4ccnc34)C2)cs1
InChIInChI=1S/C21H20N6OS/c1-14-4-2-3-5-16(14)21-25-17(13-29-21)20(28)24-15-6-9-27(12-15)19-18-22-7-10-26(18)11-8-23-19/h2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,24,28)
InChIKeyFEHPIIWJXMVFJI-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.17
Rot. Bonds4

About N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide

N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 75203084) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID75203084
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC NameN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1-c1nc(C(=O)NC2CCN(c3nccn4ccnc34)C2)cs1
InChIInChI=1S/C21H20N6OS/c1-14-4-2-3-5-16(14)21-25-17(13-29-21)20(28)24-15-6-9-27(12-15)19-18-22-7-10-26(18)11-8-23-19/h2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,24,28)
InChIKeyFEHPIIWJXMVFJI-UHFFFAOYSA-N
XLogP3.17
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 90192059
2-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 118473092
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide;5-propan-2-yl-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrimidine-2-carboxamide
CID 158487406
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 75202956
N-[1-(4-cyanophenyl)piperidin-4-yl]-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 86883809
2-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 90192085
N-[(3S)-1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 75202692
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-5-phenyl-1,2,4-oxadiazole-3-carboxamide
CID 90187382
2-(2-methylphenyl)-N-(2-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120598681
2-(2-methoxyphenyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 51100111
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-4-carboxylic acid;(3S)-1-(8-methylpyrrolo[1,2-a]pyrazin-1-yl)pyrrolidin-3-amine
CID 159453297
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 86963331

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide (CID 75203084) is N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1ccccc1-c1nc(C(=O)NC2CCN(c3nccn4ccnc34)C2)cs1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is FEHPIIWJXMVFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-14-4-2-3-5-16(14)21-25-17(13-29-21)20(28)24-15-6-9-27(12-15)19-18-22-7-10-26(18)11-8-23-19/h2-5,7-8,10-11,13,15H,6,9,12H2,1H3,(H,24,28).
What are the key properties of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-(2-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75203084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).