N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide

C18H12F3N5OS — CID 44539611

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCc1cnc(NC(=O)c2nccn3cc(-c4ccccc4C(F)(F)F)nc23)s1
InChIInChI=1S/C18H12F3N5OS/c1-10-8-23-17(28-10)25-16(27)14-15-24-13(9-26(15)7-6-22-14)11-4-2-3-5-12(11)18(19,20)21/h2-9H,1H3,(H,23,25,27)
InChIKeyUQDYZBGGJPXUHN-UHFFFAOYSA-N
MW403.39 g/mol
LogP4.43
Rot. Bonds3

About N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide

N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 44539611) has the molecular formula C18H12F3N5OS and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
PubChem CID44539611
Molecular FormulaC18H12F3N5OS
Molecular Weight403.39 g/mol
Exact Mass403.07
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide
SMILESCc1cnc(NC(=O)c2nccn3cc(-c4ccccc4C(F)(F)F)nc23)s1
InChIInChI=1S/C18H12F3N5OS/c1-10-8-23-17(28-10)25-16(27)14-15-24-13(9-26(15)7-6-22-14)11-4-2-3-5-12(11)18(19,20)21/h2-9H,1H3,(H,23,25,27)
InChIKeyUQDYZBGGJPXUHN-UHFFFAOYSA-N
XLogP4.43
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide (CID 44539611) is N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide is Cc1cnc(NC(=O)c2nccn3cc(-c4ccccc4C(F)(F)F)nc23)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is UQDYZBGGJPXUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5OS/c1-10-8-23-17(28-10)25-16(27)14-15-24-13(9-26(15)7-6-22-14)11-4-2-3-5-12(11)18(19,20)21/h2-9H,1H3,(H,23,25,27).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3-thiazol-2-yl)-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 44539611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).