N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C19H14F3N5OS — CID 42290122

IUPACN-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCc1cnccn1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C19H14F3N5OS/c20-19(21,22)13-3-1-12(2-4-13)15-10-27-16(11-29-18(27)26-15)17(28)25-6-5-14-9-23-7-8-24-14/h1-4,7-11H,5-6H2,(H,25,28)
InChIKeyFXNKKGDHWXPPEH-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.84
Rot. Bonds5

About N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42290122) has the molecular formula C19H14F3N5OS and a molecular weight of 417.42 g/mol. Its IUPAC name is N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42290122
Molecular FormulaC19H14F3N5OS
Molecular Weight417.42 g/mol
Exact Mass417.09
IUPAC NameN-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESO=C(NCCc1cnccn1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12
InChIInChI=1S/C19H14F3N5OS/c20-19(21,22)13-3-1-12(2-4-13)15-10-27-16(11-29-18(27)26-15)17(28)25-6-5-14-9-23-7-8-24-14/h1-4,7-11H,5-6H2,(H,25,28)
InChIKeyFXNKKGDHWXPPEH-UHFFFAOYSA-N
XLogP3.84
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 42290122) is N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is O=C(NCCc1cnccn1)c1csc2nc(-c3ccc(C(F)(F)F)cc3)cn12.
What is the InChIKey of N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is FXNKKGDHWXPPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5OS/c20-19(21,22)13-3-1-12(2-4-13)15-10-27-16(11-29-18(27)26-15)17(28)25-6-5-14-9-23-7-8-24-14/h1-4,7-11H,5-6H2,(H,25,28).
What are the key properties of N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 417.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazin-2-ylethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42290122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).