3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide

C26H26N6O2S — CID 159245957

IUPAC3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Cc2cnc3ccccc3n2)c1C(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C26H26N6O2S/c1-17-24(23(35-30-17)15-20-16-27-21-8-3-4-9-22(21)28-20)25(33)29-19-7-5-6-18(14-19)26(34)32-12-10-31(2)11-13-32/h3-9,14,16H,10-13,15H2,1-2H3,(H,29,33)
InChIKeyKURLCVQYGSYFLQ-UHFFFAOYSA-N
MW486.60 g/mol
LogP3.63
Rot. Bonds5

About 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide

3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide (PubChem CID 159245957) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide
PubChem CID159245957
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide
SMILESCc1nsc(Cc2cnc3ccccc3n2)c1C(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C26H26N6O2S/c1-17-24(23(35-30-17)15-20-16-27-21-8-3-4-9-22(21)28-20)25(33)29-19-7-5-6-18(14-19)26(34)32-12-10-31(2)11-13-32/h3-9,14,16H,10-13,15H2,1-2H3,(H,29,33)
InChIKeyKURLCVQYGSYFLQ-UHFFFAOYSA-N
XLogP3.63
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

3-methyl-N-[3-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide
CID 159077567
3-methyl-N-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284736
N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 141468435
N-[3-(3-acetamidopyrrolidine-1-carbonyl)phenyl]-3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 118284889
5-[(6-fluoroquinoxalin-2-yl)methyl]-3-methyl-N-(4-sulfamoylphenyl)-1,2-thiazole-4-carboxamide
CID 157209486
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157849
3-methyl-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 158922559
methyl 3-[[3-methyl-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carbonyl]amino]benzoate
CID 118278653
2-chloro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26157840
2-fluoro-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 26158103
N-[3-(pyrrolidine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylamino)-1,2-thiazole-4-carboxamide
CID 141468416
N-(3-acetamidophenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053601

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide (CID 159245957) is 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide is Cc1nsc(Cc2cnc3ccccc3n2)c1C(=O)Nc1cccc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide?
The InChIKey is KURLCVQYGSYFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-17-24(23(35-30-17)15-20-16-27-21-8-3-4-9-22(21)28-20)25(33)29-19-7-5-6-18(14-19)26(34)32-12-10-31(2)11-13-32/h3-9,14,16H,10-13,15H2,1-2H3,(H,29,33).
What are the key properties of 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide?
3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]-5-(quinoxalin-2-ylmethyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 159245957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).