2-(3-methylquinoxalin-2-yl)-1,3-thiazole

C12H9N3S — CID 27036002

IUPAC2-(3-methylquinoxalin-2-yl)-1,3-thiazole
SMILESCc1nc2ccccc2nc1-c1nccs1
InChIInChI=1S/C12H9N3S/c1-8-11(12-13-6-7-16-12)15-10-5-3-2-4-9(10)14-8/h2-7H,1H3
InChIKeyYBRAUZXMBQIMEI-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.06
Rot. Bonds1

About 2-(3-methylquinoxalin-2-yl)-1,3-thiazole

2-(3-methylquinoxalin-2-yl)-1,3-thiazole (PubChem CID 27036002) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(3-methylquinoxalin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylquinoxalin-2-yl)-1,3-thiazole
PubChem CID27036002
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name2-(3-methylquinoxalin-2-yl)-1,3-thiazole
SMILESCc1nc2ccccc2nc1-c1nccs1
InChIInChI=1S/C12H9N3S/c1-8-11(12-13-6-7-16-12)15-10-5-3-2-4-9(10)14-8/h2-7H,1H3
InChIKeyYBRAUZXMBQIMEI-UHFFFAOYSA-N
XLogP3.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylquinoxalin-2-yl)-1,3-thiazole?
The IUPAC name of 2-(3-methylquinoxalin-2-yl)-1,3-thiazole (CID 27036002) is 2-(3-methylquinoxalin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(3-methylquinoxalin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(3-methylquinoxalin-2-yl)-1,3-thiazole is Cc1nc2ccccc2nc1-c1nccs1.
What is the InChIKey of 2-(3-methylquinoxalin-2-yl)-1,3-thiazole?
The InChIKey is YBRAUZXMBQIMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-8-11(12-13-6-7-16-12)15-10-5-3-2-4-9(10)14-8/h2-7H,1H3.
What are the key properties of 2-(3-methylquinoxalin-2-yl)-1,3-thiazole?
2-(3-methylquinoxalin-2-yl)-1,3-thiazole has a molecular weight of 227.29 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylquinoxalin-2-yl)-1,3-thiazole is sourced from PubChem (CID 27036002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).