2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole

C11H9N5S — CID 142892195

IUPAC2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole
SMILESc1cnc(Cn2ccnc2-c2nccs2)cn1
InChIInChI=1S/C11H9N5S/c1-2-13-9(7-12-1)8-16-5-3-14-10(16)11-15-4-6-17-11/h1-7H,8H2
InChIKeyIVOLUUJBDYYNMX-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.84
Rot. Bonds3

About 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole

2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 142892195) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID142892195
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole
SMILESc1cnc(Cn2ccnc2-c2nccs2)cn1
InChIInChI=1S/C11H9N5S/c1-2-13-9(7-12-1)8-16-5-3-14-10(16)11-15-4-6-17-11/h1-7H,8H2
InChIKeyIVOLUUJBDYYNMX-UHFFFAOYSA-N
XLogP1.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole (CID 142892195) is 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole is c1cnc(Cn2ccnc2-c2nccs2)cn1.
What is the InChIKey of 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is IVOLUUJBDYYNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c1-2-13-9(7-12-1)8-16-5-3-14-10(16)11-15-4-6-17-11/h1-7H,8H2.
What are the key properties of 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole?
2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 243.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrazin-2-ylmethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 142892195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).