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

C9H15N3O2S — CID 65267952

IUPAC2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1nc(C)ns1
InChIInChI=1S/C9H15N3O2S/c1-4-6(2)12(5-8(13)14)9-10-7(3)11-15-9/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyHMIUHXBBKLDBAN-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.54
Rot. Bonds5

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

2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65267952) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65267952
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1nc(C)ns1
InChIInChI=1S/C9H15N3O2S/c1-4-6(2)12(5-8(13)14)9-10-7(3)11-15-9/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyHMIUHXBBKLDBAN-UHFFFAOYSA-N
XLogP1.54
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]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-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-[Propan-2-yl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304278
2-[Cyclopentyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304280
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
2-[Propyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304288
2-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]butanoic acid
CID 107304309

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65267952) is 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is CCC(C)N(CC(=O)O)c1nc(C)ns1.
What is the InChIKey of 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is HMIUHXBBKLDBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-6(2)12(5-8(13)14)9-10-7(3)11-15-9/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 229.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(3-methyl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65267952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).