2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid

C11H13N3O2S — CID 43140184

IUPAC2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1nn(C)c(C)c1-c1nc(CC(=O)O)cs1
InChIInChI=1S/C11H13N3O2S/c1-6-10(7(2)14(3)13-6)11-12-8(5-17-11)4-9(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyAEWCJIDAVNHOQS-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.79
Rot. Bonds3

About 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid

2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 43140184) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid
PubChem CID43140184
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid
SMILESCc1nn(C)c(C)c1-c1nc(CC(=O)O)cs1
InChIInChI=1S/C11H13N3O2S/c1-6-10(7(2)14(3)13-6)11-12-8(5-17-11)4-9(15)16/h5H,4H2,1-3H3,(H,15,16)
InChIKeyAEWCJIDAVNHOQS-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid (CID 43140184) is 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid is Cc1nn(C)c(C)c1-c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is AEWCJIDAVNHOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-6-10(7(2)14(3)13-6)11-12-8(5-17-11)4-9(15)16/h5H,4H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 251.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 43140184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).