2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid

C9H15N3O2S — CID 65272817

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H15N3O2S/c1-9(2,3)7-10-8(15-11-7)12(4)5-6(13)14/h5H2,1-4H3,(H,13,14)
InChIKeyMPYRZBTUBMKDMI-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.36
Rot. Bonds3

About 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid (PubChem CID 65272817) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid
PubChem CID65272817
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C9H15N3O2S/c1-9(2,3)7-10-8(15-11-7)12(4)5-6(13)14/h5H2,1-4H3,(H,13,14)
InChIKeyMPYRZBTUBMKDMI-UHFFFAOYSA-N
XLogP1.36
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-1-morpholin-4-ylethanone
CID 86801612
methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 65274645
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 133494942
N-butan-2-yl-3-tert-butyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 133494506
3-tert-butyl-N-methyl-N-[(4-methylsulfinylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133494230
2-[[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-methylamino]acetic acid
CID 4204133
3-tert-butyl-N-methyl-N-(piperidin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 106642183
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-cyclopentylamino]ethanol
CID 65275447
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
CID 65272940
2-methyl-2-[methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propan-1-ol
CID 107305731
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-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid (CID 65272817) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid is CN(CC(=O)O)c1nc(C(C)(C)C)ns1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid?
The InChIKey is MPYRZBTUBMKDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-9(2,3)7-10-8(15-11-7)12(4)5-6(13)14/h5H2,1-4H3,(H,13,14).
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid has a molecular weight of 229.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-methylamino]acetic acid is sourced from PubChem (CID 65272817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).