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

C9H14N2O2S — CID 104572102

IUPAC2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid
SMILESCCCc1nsc(C(CC)C(=O)O)n1
InChIInChI=1S/C9H14N2O2S/c1-3-5-7-10-8(14-11-7)6(4-2)9(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyRRJDHXIBPUUBEI-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.07
Rot. Bonds5

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

2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid (PubChem CID 104572102) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid
PubChem CID104572102
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid
SMILESCCCc1nsc(C(CC)C(=O)O)n1
InChIInChI=1S/C9H14N2O2S/c1-3-5-7-10-8(14-11-7)6(4-2)9(12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyRRJDHXIBPUUBEI-UHFFFAOYSA-N
XLogP2.07
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propyl-1,2,4-thiadiazol-5-yl)pentan-3-one
CID 65279988
N-methyl-3-(3-propyl-1,2,4-thiadiazol-5-yl)butan-2-amine
CID 65280668
5-(2-bromopentan-3-yl)-3-propyl-1,2,4-thiadiazole
CID 65280014
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 122050568
2-methoxy-3-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 106108351
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819
3-methoxy-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 81078153
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
(2R)-2-acetamido-3-[(3-propyl-1,2,4-thiadiazol-5-yl)sulfanyl]propanoic acid
CID 107775289
2-(5-methyl-1,3,4-thiadiazol-2-yl)butanoic acid
CID 104572108
3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65273071

Frequently Asked Questions

What is the IUPAC name of 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid?
The IUPAC name of 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid (CID 104572102) is 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid.
What is the SMILES notation for 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid?
The canonical SMILES for 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid is CCCc1nsc(C(CC)C(=O)O)n1.
What is the InChIKey of 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid?
The InChIKey is RRJDHXIBPUUBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-5-7-10-8(14-11-7)6(4-2)9(12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid?
2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid has a molecular weight of 214.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid is sourced from PubChem (CID 104572102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).