2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide

C20H16N4OS — CID 27195301

IUPAC2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)s1
InChIInChI=1S/C20H16N4OS/c1-12-19(26-13(2)22-12)20(25)23-15-7-5-6-14(10-15)18-11-21-16-8-3-4-9-17(16)24-18/h3-11H,1-2H3,(H,23,25)
InChIKeyBUXIRALFVMILEL-UHFFFAOYSA-N
MW360.44 g/mol
LogP4.62
Rot. Bonds3

About 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide (PubChem CID 27195301) has the molecular formula C20H16N4OS and a molecular weight of 360.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
PubChem CID27195301
Molecular FormulaC20H16N4OS
Molecular Weight360.44 g/mol
Exact Mass360.10
IUPAC Name2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)s1
InChIInChI=1S/C20H16N4OS/c1-12-19(26-13(2)22-12)20(25)23-15-7-5-6-14(10-15)18-11-21-16-8-3-4-9-17(16)24-18/h3-11H,1-2H3,(H,23,25)
InChIKeyBUXIRALFVMILEL-UHFFFAOYSA-N
XLogP4.62
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide (CID 27195301) is 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)s1.
What is the InChIKey of 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BUXIRALFVMILEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4OS/c1-12-19(26-13(2)22-12)20(25)23-15-7-5-6-14(10-15)18-11-21-16-8-3-4-9-17(16)24-18/h3-11H,1-2H3,(H,23,25).
What are the key properties of 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-quinoxalin-2-ylphenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 27195301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).