methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate

C20H22N4O3S — CID 71706844

IUPACmethyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccc3nc(C)c(C)nc3c2)sc1CC(C)C
InChIInChI=1S/C20H22N4O3S/c1-10(2)8-16-17(19(26)27-5)23-20(28-16)24-18(25)13-6-7-14-15(9-13)22-12(4)11(3)21-14/h6-7,9-10H,8H2,1-5H3,(H,23,24,25)
InChIKeyBZRMNHXCBGNMAT-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.94
Rot. Bonds5

About methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate

methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate (PubChem CID 71706844) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
PubChem CID71706844
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Namemethyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccc3nc(C)c(C)nc3c2)sc1CC(C)C
InChIInChI=1S/C20H22N4O3S/c1-10(2)8-16-17(19(26)27-5)23-20(28-16)24-18(25)13-6-7-14-15(9-13)22-12(4)11(3)21-14/h6-7,9-10H,8H2,1-5H3,(H,23,24,25)
InChIKeyBZRMNHXCBGNMAT-UHFFFAOYSA-N
XLogP3.94
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonylamino)-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 71705789
2,3-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 16644458
methyl 2-[[3-(4-methoxyphenyl)-1-methylpyrazole-5-carbonyl]amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
CID 90489464
methyl 2-[(1,3-dimethyl-2-oxobenzimidazole-5-carbonyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 155961942
ethyl 2-[[5-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 55386656
methyl 4-methyl-2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 23763670
methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87301133
methyl 2-[(4-propan-2-ylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128804
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 134711899
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 9192775
methyl 4-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192912
methyl 4-[(5,7-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 7192914

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate (CID 71706844) is methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2ccc3nc(C)c(C)nc3c2)sc1CC(C)C.
What is the InChIKey of methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
The InChIKey is BZRMNHXCBGNMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-10(2)8-16-17(19(26)27-5)23-20(28-16)24-18(25)13-6-7-14-15(9-13)22-12(4)11(3)21-14/h6-7,9-10H,8H2,1-5H3,(H,23,24,25).
What are the key properties of methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate?
methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate has a molecular weight of 398.49 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71706844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).