5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid

C14H15N3O3S — CID 122058019

IUPAC5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCOC(c3cccs3)C2)cn1
InChIInChI=1S/C14H15N3O3S/c18-14(19)10-7-16-13(8-15-10)17-9-3-4-20-11(6-9)12-2-1-5-21-12/h1-2,5,7-9,11H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyQYAHMSVYMNVTRI-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.57
Rot. Bonds4

About 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid

5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 122058019) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid
PubChem CID122058019
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC2CCOC(c3cccs3)C2)cn1
InChIInChI=1S/C14H15N3O3S/c18-14(19)10-7-16-13(8-15-10)17-9-3-4-20-11(6-9)12-2-1-5-21-12/h1-2,5,7-9,11H,3-4,6H2,(H,16,17)(H,18,19)
InChIKeyQYAHMSVYMNVTRI-UHFFFAOYSA-N
XLogP2.57
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-phenylcyclobutyl)amino]pyrazine-2-carboxylic acid
CID 122052048
5-[[(1S,3R)-3-carbamoylcyclopentyl]amino]pyrazine-2-carboxylic acid
CID 122058090
5-[(3,5-dimethylcyclohexyl)amino]pyrazine-2-carboxylic acid
CID 64732761
5-(5,8-dioxaspiro[3.5]nonan-2-ylamino)pyrazine-2-carboxylic acid
CID 167981476
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247
4-[(2-thiophen-2-ylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024352
5-[[(2S,4S)-4-fluoro-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 122055535
N-[4-(2-methylimidazol-1-yl)phenyl]-2-thiophen-2-yloxane-4-carboxamide;hydrochloride
CID 67577428
5-[(7-fluoro-3,4-dihydro-2H-chromen-3-yl)amino]pyrazine-2-carboxylic acid
CID 166402145
5-[[(6S,7S)-6-hydroxy-5,5-dimethyl-6,7-dihydrothieno[3,2-b]pyran-7-yl]amino]pyrazine-2-carboxylic acid
CID 122058201
1-phenyl-5-[(2R)-2-thiophen-2-ylmorpholine-4-carbonyl]pyrazole-3-carboxylic acid
CID 124701077
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-thiophen-2-ylmorpholin-4-yl)methanone;hydrochloride
CID 119757300

Frequently Asked Questions

What is the IUPAC name of 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid (CID 122058019) is 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC2CCOC(c3cccs3)C2)cn1.
What is the InChIKey of 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is QYAHMSVYMNVTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-14(19)10-7-16-13(8-15-10)17-9-3-4-20-11(6-9)12-2-1-5-21-12/h1-2,5,7-9,11H,3-4,6H2,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid?
5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-thiophen-2-yloxan-4-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122058019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).