methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate

C16H13N3O3S — CID 67125591

IUPACmethyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc3nccnc3s2)c1
InChIInChI=1S/C16H13N3O3S/c1-9-3-4-10(16(21)22-2)7-11(9)19-14(20)13-8-12-15(23-13)18-6-5-17-12/h3-8H,1-2H3,(H,19,20)
InChIKeyCIQGSOHLUOLGFE-UHFFFAOYSA-N
MW327.37 g/mol
LogP3.04
Rot. Bonds3

About methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate

methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate (PubChem CID 67125591) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate
PubChem CID67125591
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Namemethyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cc3nccnc3s2)c1
InChIInChI=1S/C16H13N3O3S/c1-9-3-4-10(16(21)22-2)7-11(9)19-14(20)13-8-12-15(23-13)18-6-5-17-12/h3-8H,1-2H3,(H,19,20)
InChIKeyCIQGSOHLUOLGFE-UHFFFAOYSA-N
XLogP3.04
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid
CID 67125632
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(5-amino-2-methylphenyl)thieno[2,3-b]pyrazine-6-carboxamide;N-[2-methyl-5-[[3-(trifluoromethoxy)benzoyl]amino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide;hydrochloride
CID 159697821
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
CID 60934285
methyl 4-methyl-3-[(2-methylpyrazole-3-carbonyl)amino]benzoate
CID 6467487
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate?
The IUPAC name of methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate (CID 67125591) is methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate?
The canonical SMILES for methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate is COC(=O)c1ccc(C)c(NC(=O)c2cc3nccnc3s2)c1.
What is the InChIKey of methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate?
The InChIKey is CIQGSOHLUOLGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-9-3-4-10(16(21)22-2)7-11(9)19-14(20)13-8-12-15(23-13)18-6-5-17-12/h3-8H,1-2H3,(H,19,20).
What are the key properties of methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate?
methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate has a molecular weight of 327.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate is sourced from PubChem (CID 67125591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).