6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid

C11H11N3O2S — CID 66456809

IUPAC6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCN(Cc1cccs1)c1cncc(C(=O)O)n1
InChIInChI=1S/C11H11N3O2S/c1-14(7-8-3-2-4-17-8)10-6-12-5-9(13-10)11(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyZTZHSQUWSUZNMI-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.87
Rot. Bonds4

About 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid

6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid (PubChem CID 66456809) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
PubChem CID66456809
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
SMILESCN(Cc1cccs1)c1cncc(C(=O)O)n1
InChIInChI=1S/C11H11N3O2S/c1-14(7-8-3-2-4-17-8)10-6-12-5-9(13-10)11(15)16/h2-6H,7H2,1H3,(H,15,16)
InChIKeyZTZHSQUWSUZNMI-UHFFFAOYSA-N
XLogP1.87
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyrazine-2-carboxylic acid
CID 66457051
6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 66456627
6-[(cyclopropylamino)methyl]-N-methyl-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 66457006
6-[methyl(thiophen-2-ylmethyl)amino]-5-nitropyridine-2-carboxylic acid
CID 114403637
5-[methyl(2-thiophen-2-ylethyl)amino]pyridine-2-carboxylic acid
CID 113321661
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
6-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61455935
6-(chloromethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyrazin-2-amine
CID 79486046
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 107112043
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid (CID 66456809) is 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid is CN(Cc1cccs1)c1cncc(C(=O)O)n1.
What is the InChIKey of 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is ZTZHSQUWSUZNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-14(7-8-3-2-4-17-8)10-6-12-5-9(13-10)11(15)16/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid?
6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66456809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).