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

C9H9N3O2S — CID 43140197

IUPAC2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCn1cc(-c2nc(CC(=O)O)cs2)cn1
InChIInChI=1S/C9H9N3O2S/c1-12-4-6(3-10-12)9-11-7(5-15-9)2-8(13)14/h3-5H,2H2,1H3,(H,13,14)
InChIKeyFZKRWRGXOOGGMI-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.17
Rot. Bonds3

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

2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 43140197) has the molecular formula C9H9N3O2S and a molecular weight of 223.26 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID43140197
Molecular FormulaC9H9N3O2S
Molecular Weight223.26 g/mol
Exact Mass223.04
IUPAC Name2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCn1cc(-c2nc(CC(=O)O)cs2)cn1
InChIInChI=1S/C9H9N3O2S/c1-12-4-6(3-10-12)9-11-7(5-15-9)2-8(13)14/h3-5H,2H2,1H3,(H,13,14)
InChIKeyFZKRWRGXOOGGMI-UHFFFAOYSA-N
XLogP1.17
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid (CID 43140197) is 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid is Cn1cc(-c2nc(CC(=O)O)cs2)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FZKRWRGXOOGGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S/c1-12-4-6(3-10-12)9-11-7(5-15-9)2-8(13)14/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 223.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43140197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).