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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Related Compounds

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrazine-2-carboxylic acid
CID 104567375
1,3-thiazol-4-ylmethyl acetate
CID 45117618
1,3-thiazole-4-carboxylic acid bromide
CID 53314464
3-ethoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid
CID 16769585
2-[(1,3-thiazol-4-ylmethylcarbamoylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66379989
4-(dimethylphosphoryloxymethyl)-1,3-thiazole
CID 123710075
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
2-chloro-2-phenyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 63831536
5-amino-6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 114406127
1,3-thiazol-4-ylmethoxymethylphosphonic acid
CID 22280493
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
5-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 113436186

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).