3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid

C13H15N3O2S — CID 79487177

IUPAC3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCC(Cc1cccs1)N(C)c1nccnc1C(=O)O
InChIInChI=1S/C13H15N3O2S/c1-9(8-10-4-3-7-19-10)16(2)12-11(13(17)18)14-5-6-15-12/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyZWOGDUKPONQPPF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.30
Rot. Bonds5

About 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid

3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 79487177) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid
PubChem CID79487177
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCC(Cc1cccs1)N(C)c1nccnc1C(=O)O
InChIInChI=1S/C13H15N3O2S/c1-9(8-10-4-3-7-19-10)16(2)12-11(13(17)18)14-5-6-15-12/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyZWOGDUKPONQPPF-UHFFFAOYSA-N
XLogP2.30
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-methyl-3-N-(1-thiophen-2-ylpropan-2-yl)pyrazine-2,3-diamine
CID 113268505
5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid
CID 80631787
5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697870
[3-fluoro-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4-pyridinyl]methanol
CID 105383120
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
4-(aminomethyl)-3-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 107055661
3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62701319
3-amino-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzoic acid
CID 115935277
5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136971411
3-chloro-N,5,6-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79488274
2-chloro-N,5-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 79488363
[6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 79486099

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid (CID 79487177) is 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid is CC(Cc1cccs1)N(C)c1nccnc1C(=O)O.
What is the InChIKey of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is ZWOGDUKPONQPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(8-10-4-3-7-19-10)16(2)12-11(13(17)18)14-5-6-15-12/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid?
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 277.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 79487177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).