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

C9H13N3O2S — CID 65267836

IUPAC3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCc1nsc(N(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C9H13N3O2S/c1-6-10-9(15-11-6)12(7-2-3-7)5-4-8(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyCALCEXSIXDAMFK-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.29
Rot. Bonds5

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

3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (PubChem CID 65267836) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
PubChem CID65267836
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
SMILESCc1nsc(N(CCC(=O)O)C2CC2)n1
InChIInChI=1S/C9H13N3O2S/c1-6-10-9(15-11-6)12(7-2-3-7)5-4-8(13)14/h7H,2-5H2,1H3,(H,13,14)
InChIKeyCALCEXSIXDAMFK-UHFFFAOYSA-N
XLogP1.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic 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-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304276
3-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304286
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 107304289
2-Methyl-3-{methyl[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino}propanoic acid
CID 107304302
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304325
3-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoic acid
CID 113943857
3-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]-2-methylpropanoic acid
CID 113943863
4-[Methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65267541
2-[Methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65267545
3-[4-(3-Methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanoic acid
CID 65267717
2-[Methyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65267721
2-[Ethyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]-2-methylpropanoic acid
CID 65267839

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid (CID 65267836) is 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is Cc1nsc(N(CCC(=O)O)C2CC2)n1.
What is the InChIKey of 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
The InChIKey is CALCEXSIXDAMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-10-9(15-11-6)12(7-2-3-7)5-4-8(13)14/h7H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid?
3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid has a molecular weight of 227.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 65267836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).