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

C20H18N6OS — CID 75202958

IUPACN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N6OS/c27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18/h1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27)
InChIKeyLVHIVLYJQXXIIN-UHFFFAOYSA-N
MW390.47 g/mol
LogP2.86
Rot. Bonds4

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

N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 75202958) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID75202958
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C20H18N6OS/c27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18/h1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27)
InChIKeyLVHIVLYJQXXIIN-UHFFFAOYSA-N
XLogP2.86
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 75202958) is N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(NC1CCN(c2nccn3ccnc23)C1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is LVHIVLYJQXXIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c27-19(16-13-28-20(24-16)14-4-2-1-3-5-14)23-15-6-9-26(12-15)18-17-21-7-10-25(17)11-8-22-18/h1-5,7-8,10-11,13,15H,6,9,12H2,(H,23,27).
What are the key properties of N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(1-imidazo[1,2-a]pyrazin-8-ylpyrrolidin-3-yl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 2.86, 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-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75202958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).