5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid

C9H7N3O3S — CID 90389464

IUPAC5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCc2cscn2)cn1
InChIInChI=1S/C9H7N3O3S/c13-9(14)7-1-11-8(2-10-7)15-3-6-4-16-5-12-6/h1-2,4-5H,3H2,(H,13,14)
InChIKeyVGMFHHBPGAZQPS-UHFFFAOYSA-N
MW237.24 g/mol
LogP1.21
Rot. Bonds4

About 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid

5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid (PubChem CID 90389464) has the molecular formula C9H7N3O3S and a molecular weight of 237.24 g/mol. Its IUPAC name is 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid
PubChem CID90389464
Molecular FormulaC9H7N3O3S
Molecular Weight237.24 g/mol
Exact Mass237.02
IUPAC Name5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(OCc2cscn2)cn1
InChIInChI=1S/C9H7N3O3S/c13-9(14)7-1-11-8(2-10-7)15-3-6-4-16-5-12-6/h1-2,4-5H,3H2,(H,13,14)
InChIKeyVGMFHHBPGAZQPS-UHFFFAOYSA-N
XLogP1.21
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid (CID 90389464) is 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid is O=C(O)c1cnc(OCc2cscn2)cn1.
What is the InChIKey of 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid?
The InChIKey is VGMFHHBPGAZQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S/c13-9(14)7-1-11-8(2-10-7)15-3-6-4-16-5-12-6/h1-2,4-5H,3H2,(H,13,14).
What are the key properties of 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid?
5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid has a molecular weight of 237.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-4-ylmethoxy)pyrazine-2-carboxylic acid is sourced from PubChem (CID 90389464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).