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

C8H13N3O2S — CID 65268069

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-3-4-11(5-7(12)13)8-9-6(2)10-14-8/h3-5H2,1-2H3,(H,12,13)
InChIKeyJINTVGPGMRYXQM-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.15
Rot. Bonds5

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid (PubChem CID 65268069) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid
PubChem CID65268069
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)c1nc(C)ns1
InChIInChI=1S/C8H13N3O2S/c1-3-4-11(5-7(12)13)8-9-6(2)10-14-8/h3-5H2,1-2H3,(H,12,13)
InChIKeyJINTVGPGMRYXQM-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic 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

2-[(3-Tert-butyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258161
2-[(3-Methyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258403
2-[(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258561
2-[(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258566
2-[(3-Propyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258651
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258981
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304255
2-[Cyclopropylmethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304274
2-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304278
2-[Cyclopropyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304281
2-[Butan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304282
2-[Ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304287

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid (CID 65268069) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid is CCCN(CC(=O)O)c1nc(C)ns1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid?
The InChIKey is JINTVGPGMRYXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-3-4-11(5-7(12)13)8-9-6(2)10-14-8/h3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid has a molecular weight of 215.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propylamino]acetic acid is sourced from PubChem (CID 65268069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).