2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid

C10H12N4O2S — CID 65208615

IUPAC2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid
SMILESCc1nnc(-n2nc(C)c(CC(=O)O)c2C)s1
InChIInChI=1S/C10H12N4O2S/c1-5-8(4-9(15)16)6(2)14(13-5)10-12-11-7(3)17-10/h4H2,1-3H3,(H,15,16)
InChIKeyDFIKSRKEQCAVTE-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.28
Rot. Bonds3

About 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid

2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid (PubChem CID 65208615) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid
PubChem CID65208615
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid
SMILESCc1nnc(-n2nc(C)c(CC(=O)O)c2C)s1
InChIInChI=1S/C10H12N4O2S/c1-5-8(4-9(15)16)6(2)14(13-5)10-12-11-7(3)17-10/h4H2,1-3H3,(H,15,16)
InChIKeyDFIKSRKEQCAVTE-UHFFFAOYSA-N
XLogP1.28
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-dimethyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrazol-4-yl]acetic acid
CID 65273456
2-[1-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 82132502
2-[1-(5-bromo-3-fluoro-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 114046914
2-[1-(5-bromopyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 63871923
2-[3,5-dimethyl-1-(2-methylpyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 55113103
2-[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-phenyltriazol-4-yl]acetic acid
CID 82221408
2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 71756922
2-(1-decyl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 62222579
2-[1-(1-amino-1-oxopropan-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 61294632
2-(1-cinnolin-4-yl-3,5-dimethylpyrazol-4-yl)acetic acid
CID 63586232
2-[3,5-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrazol-4-yl]acetic acid
CID 136989640
2-[1-(4-chloro-3-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 79149652

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid (CID 65208615) is 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid is Cc1nnc(-n2nc(C)c(CC(=O)O)c2C)s1.
What is the InChIKey of 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid?
The InChIKey is DFIKSRKEQCAVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-5-8(4-9(15)16)6(2)14(13-5)10-12-11-7(3)17-10/h4H2,1-3H3,(H,15,16).
What are the key properties of 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid?
2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid has a molecular weight of 252.30 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 65208615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).