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

C12H9F3N4S2 — CID 99839222

IUPAC5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CSc2nccn3ccnc23)s1
InChIInChI=1S/C12H9F3N4S2/c1-7-18-9(12(13,14)15)8(21-7)6-20-11-10-16-2-4-19(10)5-3-17-11/h2-5H,6H2,1H3
InChIKeyULYQUQZZLGQBIR-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.81
Rot. Bonds3

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

5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 99839222) has the molecular formula C12H9F3N4S2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID99839222
Molecular FormulaC12H9F3N4S2
Molecular Weight330.36 g/mol
Exact Mass330.02
IUPAC Name5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole
SMILESCc1nc(C(F)(F)F)c(CSc2nccn3ccnc23)s1
InChIInChI=1S/C12H9F3N4S2/c1-7-18-9(12(13,14)15)8(21-7)6-20-11-10-16-2-4-19(10)5-3-17-11/h2-5H,6H2,1H3
InChIKeyULYQUQZZLGQBIR-UHFFFAOYSA-N
XLogP3.81
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole (CID 99839222) is 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole is Cc1nc(C(F)(F)F)c(CSc2nccn3ccnc23)s1.
What is the InChIKey of 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ULYQUQZZLGQBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4S2/c1-7-18-9(12(13,14)15)8(21-7)6-20-11-10-16-2-4-19(10)5-3-17-11/h2-5H,6H2,1H3.
What are the key properties of 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole?
5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 330.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-2-methyl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 99839222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).