2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid

C10H9N3O3S — CID 103372970

IUPAC2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nc(CC(=O)O)cs2)nn1
InChIInChI=1S/C10H9N3O3S/c1-16-8-3-2-7(12-13-8)10-11-6(5-17-10)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyRWAIXTUHNVBRFD-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.24
Rot. Bonds4

About 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 103372970) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID103372970
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC Name2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccc(-c2nc(CC(=O)O)cs2)nn1
InChIInChI=1S/C10H9N3O3S/c1-16-8-3-2-7(12-13-8)10-11-6(5-17-10)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyRWAIXTUHNVBRFD-UHFFFAOYSA-N
XLogP1.24
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetonitrile
CID 103375229
2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 43322559
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 63631665
2-[2-[4-methoxy-3-[2-(4-methylphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20990950
2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 43658690
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[2-(4-ethylsulfanylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 98022615
2-[2-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 22682050
2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991322
2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20987846

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid (CID 103372970) is 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid is COc1ccc(-c2nc(CC(=O)O)cs2)nn1.
What is the InChIKey of 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is RWAIXTUHNVBRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c1-16-8-3-2-7(12-13-8)10-11-6(5-17-10)4-9(14)15/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 251.27 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxypyridazin-3-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 103372970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).