2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole

C17H19F3N6S — CID 166605271

IUPAC2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)s1
InChIInChI=1S/C17H19F3N6S/c1-11-13(27-12(2)22-11)9-24-5-7-25(8-6-24)15-16-23-14(17(18,19)20)10-26(16)4-3-21-15/h3-4,10H,5-9H2,1-2H3
InChIKeyKWWHAGUSXDYHBR-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.14
Rot. Bonds3

About 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole

2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 166605271) has the molecular formula C17H19F3N6S and a molecular weight of 396.44 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID166605271
Molecular FormulaC17H19F3N6S
Molecular Weight396.44 g/mol
Exact Mass396.13
IUPAC Name2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(C)c(CN2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)s1
InChIInChI=1S/C17H19F3N6S/c1-11-13(27-12(2)22-11)9-24-5-7-25(8-6-24)15-16-23-14(17(18,19)20)10-26(16)4-3-21-15/h3-4,10H,5-9H2,1-2H3
InChIKeyKWWHAGUSXDYHBR-UHFFFAOYSA-N
XLogP3.14
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole (CID 166605271) is 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole is Cc1nc(C)c(CN2CCN(c3nccn4cc(C(F)(F)F)nc34)CC2)s1.
What is the InChIKey of 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KWWHAGUSXDYHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6S/c1-11-13(27-12(2)22-11)9-24-5-7-25(8-6-24)15-16-23-14(17(18,19)20)10-26(16)4-3-21-15/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole?
2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 396.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 166605271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).