N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide

C21H18N4O2S — CID 9192775

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-12-13(2)23-18-10-15(6-9-17(18)22-12)20(26)25-21-24-19(11-28-21)14-4-7-16(27-3)8-5-14/h4-11H,1-3H3,(H,24,25,26)
InChIKeyUPUILZCJTFUEIS-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.63
Rot. Bonds4

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (PubChem CID 9192775) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
PubChem CID9192775
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1
InChIInChI=1S/C21H18N4O2S/c1-12-13(2)23-18-10-15(6-9-17(18)22-12)20(26)25-21-24-19(11-28-21)14-4-7-16(27-3)8-5-14/h4-11H,1-3H3,(H,24,25,26)
InChIKeyUPUILZCJTFUEIS-UHFFFAOYSA-N
XLogP4.63
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
3-(4-methoxyphenyl)-4-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 139050491
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748170
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
3-cyano-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 7733305
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-3-carboxamide
CID 17417571
[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid
CID 87194810
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 4785270
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
4-amino-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
CID 8747992
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 4826765
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylthiadiazole-5-carboxamide
CID 21008252

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide (CID 9192775) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccc4nc(C)c(C)nc4c3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
The InChIKey is UPUILZCJTFUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-12-13(2)23-18-10-15(6-9-17(18)22-12)20(26)25-21-24-19(11-28-21)14-4-7-16(27-3)8-5-14/h4-11H,1-3H3,(H,24,25,26).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide is sourced from PubChem (CID 9192775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).