3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid

C9H15N3O2S — CID 65273071

IUPAC3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCCCc1nsc(N(C)CCC(=O)O)n1
InChIInChI=1S/C9H15N3O2S/c1-3-4-7-10-9(15-11-7)12(2)6-5-8(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyACISRLUFWLIPKO-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.40
Rot. Bonds6

About 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid

3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (PubChem CID 65273071) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
PubChem CID65273071
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCCCc1nsc(N(C)CCC(=O)O)n1
InChIInChI=1S/C9H15N3O2S/c1-3-4-7-10-9(15-11-7)12(2)6-5-8(13)14/h3-6H2,1-2H3,(H,13,14)
InChIKeyACISRLUFWLIPKO-UHFFFAOYSA-N
XLogP1.40
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloropentyl)-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 107205342
methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65275369
2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65273496
2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 79263868
2-[(3-propyl-1,2,4-thiadiazol-5-yl)-prop-2-ynylamino]acetic acid
CID 79273708
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
CID 65272940
N-[(2-aminophenyl)methyl]-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276186
N,N-dimethyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 65271389
(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
3-[[4-(chloromethyl)-1,3-thiazol-2-yl]-methylamino]propanoic acid
CID 82179899
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
2-(3-propyl-1,2,4-thiadiazol-5-yl)butanoic acid
CID 104572102

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (CID 65273071) is 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is CCCc1nsc(N(C)CCC(=O)O)n1.
What is the InChIKey of 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The InChIKey is ACISRLUFWLIPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-3-4-7-10-9(15-11-7)12(2)6-5-8(13)14/h3-6H2,1-2H3,(H,13,14).
What are the key properties of 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 65273071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).