6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid

C11H11N3O2S — CID 66451675

IUPAC6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1ccc(CNc2cncc(C(=O)O)n2)s1
InChIInChI=1S/C11H11N3O2S/c1-7-2-3-8(17-7)4-13-10-6-12-5-9(14-10)11(15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyNNQMVKFXUPDKDL-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.16
Rot. Bonds4

About 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid

6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid (PubChem CID 66451675) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid
PubChem CID66451675
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid
SMILESCc1ccc(CNc2cncc(C(=O)O)n2)s1
InChIInChI=1S/C11H11N3O2S/c1-7-2-3-8(17-7)4-13-10-6-12-5-9(14-10)11(15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyNNQMVKFXUPDKDL-UHFFFAOYSA-N
XLogP2.16
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methyl-1,3-thiazol-5-yl)methylamino]pyrazine-2-carboxylic acid
CID 66450849
2-N-[(5-methylthiophen-2-yl)methyl]pyrazine-2,6-diamine
CID 78988898
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
6-(1,3-thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 66451239
6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 62710803
6-[(5-methylthiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64596062
6-[[2-(dimethylamino)-2-oxoethyl]amino]pyrazine-2-carboxylic acid
CID 66456798
6-(3-hydroxybutylamino)pyrazine-2-carboxylic acid
CID 66450555
methyl 6-(1,3-thiazol-5-ylmethylamino)pyrazine-2-carboxylate
CID 104577442
6-(pent-3-ynylamino)pyrazine-2-carboxylic acid
CID 116644352
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]pyrazine-2-carboxylic acid
CID 112670129
6-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3,6-triamine
CID 79825619

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid (CID 66451675) is 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid is Cc1ccc(CNc2cncc(C(=O)O)n2)s1.
What is the InChIKey of 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid?
The InChIKey is NNQMVKFXUPDKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7-2-3-8(17-7)4-13-10-6-12-5-9(14-10)11(15)16/h2-3,5-6H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid?
6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methylthiophen-2-yl)methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66451675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).