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

C10H12N4O3S — CID 29065959

IUPAC2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESCc1nn(C)c(C)c1-c1nnc(SCC(=O)O)o1
InChIInChI=1S/C10H12N4O3S/c1-5-8(6(2)14(3)13-5)9-11-12-10(17-9)18-4-7(15)16/h4H2,1-3H3,(H,15,16)
InChIKeyZVTMIDGATGPMJO-UHFFFAOYSA-N
MW268.30 g/mol
LogP1.26
Rot. Bonds4

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

2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (PubChem CID 29065959) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.

Molecular Properties

Compound Name2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
PubChem CID29065959
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
SMILESCc1nn(C)c(C)c1-c1nnc(SCC(=O)O)o1
InChIInChI=1S/C10H12N4O3S/c1-5-8(6(2)14(3)13-5)9-11-12-10(17-9)18-4-7(15)16/h4H2,1-3H3,(H,15,16)
InChIKeyZVTMIDGATGPMJO-UHFFFAOYSA-N
XLogP1.26
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The IUPAC name of 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid (CID 29065959) is 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid.
What is the SMILES notation for 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The canonical SMILES for 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is Cc1nn(C)c(C)c1-c1nnc(SCC(=O)O)o1.
What is the InChIKey of 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
The InChIKey is ZVTMIDGATGPMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-5-8(6(2)14(3)13-5)9-11-12-10(17-9)18-4-7(15)16/h4H2,1-3H3,(H,15,16).
What are the key properties of 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid?
2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid has a molecular weight of 268.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1,3,5-trimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid is sourced from PubChem (CID 29065959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).