N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine

C15H14FN7S — CID 89361668

IUPACN-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine
SMILESCCn1cc(-c2cnc3c(Nc4ncc(CF)s4)nccn23)cn1
InChIInChI=1S/C15H14FN7S/c1-2-22-9-10(6-20-22)12-8-18-14-13(17-3-4-23(12)14)21-15-19-7-11(5-16)24-15/h3-4,6-9H,2,5H2,1H3,(H,17,19,21)
InChIKeyROYDSDGLQJVMKZ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.28
Rot. Bonds5

About N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine

N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine (PubChem CID 89361668) has the molecular formula C15H14FN7S and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine
PubChem CID89361668
Molecular FormulaC15H14FN7S
Molecular Weight343.39 g/mol
Exact Mass343.10
IUPAC NameN-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine
SMILESCCn1cc(-c2cnc3c(Nc4ncc(CF)s4)nccn23)cn1
InChIInChI=1S/C15H14FN7S/c1-2-22-9-10(6-20-22)12-8-18-14-13(17-3-4-23(12)14)21-15-19-7-11(5-16)24-15/h3-4,6-9H,2,5H2,1H3,(H,17,19,21)
InChIKeyROYDSDGLQJVMKZ-UHFFFAOYSA-N
XLogP3.28
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine (CID 89361668) is N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine is CCn1cc(-c2cnc3c(Nc4ncc(CF)s4)nccn23)cn1.
What is the InChIKey of N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is ROYDSDGLQJVMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN7S/c1-2-22-9-10(6-20-22)12-8-18-14-13(17-3-4-23(12)14)21-15-19-7-11(5-16)24-15/h3-4,6-9H,2,5H2,1H3,(H,17,19,21).
What are the key properties of N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine?
N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 343.39 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-ethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-5-(fluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89361668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).