4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole

C9H9N3S — CID 22459374

IUPAC4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole
SMILESCc1nc(-c2cnccn2)sc1C
InChIInChI=1S/C9H9N3S/c1-6-7(2)13-9(12-6)8-5-10-3-4-11-8/h3-5H,1-2H3
InChIKeyIYKUHPMCPQPXQH-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.22
Rot. Bonds1

About 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole

4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole (PubChem CID 22459374) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole
PubChem CID22459374
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC Name4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole
SMILESCc1nc(-c2cnccn2)sc1C
InChIInChI=1S/C9H9N3S/c1-6-7(2)13-9(12-6)8-5-10-3-4-11-8/h3-5H,1-2H3
InChIKeyIYKUHPMCPQPXQH-UHFFFAOYSA-N
XLogP2.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole (CID 22459374) is 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole is Cc1nc(-c2cnccn2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole?
The InChIKey is IYKUHPMCPQPXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-6-7(2)13-9(12-6)8-5-10-3-4-11-8/h3-5H,1-2H3.
What are the key properties of 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole?
4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole has a molecular weight of 191.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-pyrazin-2-yl-1,3-thiazole is sourced from PubChem (CID 22459374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).