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

C15H11N3O3S — CID 67125632

IUPAC4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cc2nccnc2s1
InChIInChI=1S/C15H11N3O3S/c1-8-2-3-9(15(20)21)6-10(8)18-13(19)12-7-11-14(22-12)17-5-4-16-11/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyDUZGWXISPYJFPM-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.95
Rot. Bonds3

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

4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid (PubChem CID 67125632) has the molecular formula C15H11N3O3S and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid
PubChem CID67125632
Molecular FormulaC15H11N3O3S
Molecular Weight313.34 g/mol
Exact Mass313.05
IUPAC Name4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)c1cc2nccnc2s1
InChIInChI=1S/C15H11N3O3S/c1-8-2-3-9(15(20)21)6-10(8)18-13(19)12-7-11-14(22-12)17-5-4-16-11/h2-7H,1H3,(H,18,19)(H,20,21)
InChIKeyDUZGWXISPYJFPM-UHFFFAOYSA-N
XLogP2.95
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoate
CID 67125591
4-methyl-3-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 120522326
3-[(5-carboxy-2-methylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53271000
3-[(4,5-dibromothiophene-2-carbonyl)amino]-4-methylbenzoic acid
CID 43239573
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
N-[2-methyl-5-[(2-pyrrolidin-1-yl-4-pyridinyl)methylamino]phenyl]thieno[2,3-b]pyrazine-6-carboxamide
CID 67125717
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
3-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylbenzoic acid
CID 119219452
4-methyl-3-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 43565594
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
4-chloro-3-[(2-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 114030925

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid?
The IUPAC name of 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid (CID 67125632) is 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid.
What is the SMILES notation for 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid?
The canonical SMILES for 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)c1cc2nccnc2s1.
What is the InChIKey of 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid?
The InChIKey is DUZGWXISPYJFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3S/c1-8-2-3-9(15(20)21)6-10(8)18-13(19)12-7-11-14(22-12)17-5-4-16-11/h2-7H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid?
4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid has a molecular weight of 313.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(thieno[2,3-b]pyrazine-6-carbonylamino)benzoic acid is sourced from PubChem (CID 67125632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).