4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole

C18H13N3S — CID 5095309

IUPAC4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole
SMILESCc1nc2ccccc2nc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H13N3S/c1-12-17(20-15-10-6-5-9-14(15)19-12)16-11-22-18(21-16)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyIHIBMPBZZFWLBQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP4.73
Rot. Bonds2

About 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole

4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole (PubChem CID 5095309) has the molecular formula C18H13N3S and a molecular weight of 303.39 g/mol. Its IUPAC name is 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole
PubChem CID5095309
Molecular FormulaC18H13N3S
Molecular Weight303.39 g/mol
Exact Mass303.08
IUPAC Name4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole
SMILESCc1nc2ccccc2nc1-c1csc(-c2ccccc2)n1
InChIInChI=1S/C18H13N3S/c1-12-17(20-15-10-6-5-9-14(15)19-12)16-11-22-18(21-16)13-7-3-2-4-8-13/h2-11H,1H3
InChIKeyIHIBMPBZZFWLBQ-UHFFFAOYSA-N
XLogP4.73
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole?
The IUPAC name of 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole (CID 5095309) is 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole.
What is the SMILES notation for 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole?
The canonical SMILES for 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole is Cc1nc2ccccc2nc1-c1csc(-c2ccccc2)n1.
What is the InChIKey of 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole?
The InChIKey is IHIBMPBZZFWLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3S/c1-12-17(20-15-10-6-5-9-14(15)19-12)16-11-22-18(21-16)13-7-3-2-4-8-13/h2-11H,1H3.
What are the key properties of 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole?
4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole has a molecular weight of 303.39 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylquinoxalin-2-yl)-2-phenyl-1,3-thiazole is sourced from PubChem (CID 5095309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).