2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid

C7H10N2O2S — CID 104572108

IUPAC2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1nnc(C)s1
InChIInChI=1S/C7H10N2O2S/c1-3-5(7(10)11)6-9-8-4(2)12-6/h5H,3H2,1-2H3,(H,10,11)
InChIKeyQDXUKRBAILEETC-UHFFFAOYSA-N
MW186.24 g/mol
LogP1.42
Rot. Bonds3

About 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid

2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid (PubChem CID 104572108) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid
PubChem CID104572108
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid
SMILESCCC(C(=O)O)c1nnc(C)s1
InChIInChI=1S/C7H10N2O2S/c1-3-5(7(10)11)6-9-8-4(2)12-6/h5H,3H2,1-2H3,(H,10,11)
InChIKeyQDXUKRBAILEETC-UHFFFAOYSA-N
XLogP1.42
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)propanoic acid
CID 104572783
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 131154139
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
2-(5-nitro-1,3-thiazol-2-yl)butanoic acid
CID 102771983
2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid
CID 104572102
3-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-ol
CID 65208679
(2S)-3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanoic acid
CID 104873943
2-(5-methyl-1,3,4-thiadiazol-2-yl)-2-sulfanylethanesulfonic acid
CID 174251442
2-(2-bromo-5-chloro-1,3-thiazol-4-yl)butanoic acid
CID 118524418
(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 70428933
2-[4-(2-methylphenyl)-1,3-thiazol-2-yl]butanoic acid
CID 116967198
2-(5-methylpyrazin-2-yl)butanoic acid
CID 82409079

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid?
The IUPAC name of 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid (CID 104572108) is 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid.
What is the SMILES notation for 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid?
The canonical SMILES for 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid is CCC(C(=O)O)c1nnc(C)s1.
What is the InChIKey of 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid?
The InChIKey is QDXUKRBAILEETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-3-5(7(10)11)6-9-8-4(2)12-6/h5H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid?
2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid has a molecular weight of 186.24 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid is sourced from PubChem (CID 104572108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).