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

C8H13N3O2S — CID 65267894

IUPAC2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid
SMILESCc1nsc(N(CC(=O)O)C(C)C)n1
InChIInChI=1S/C8H13N3O2S/c1-5(2)11(4-7(12)13)8-9-6(3)10-14-8/h5H,4H2,1-3H3,(H,12,13)
InChIKeyJVGBGDOJXIWKQQ-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.15
Rot. Bonds4

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

2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid (PubChem CID 65267894) 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)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid
PubChem CID65267894
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid
SMILESCc1nsc(N(CC(=O)O)C(C)C)n1
InChIInChI=1S/C8H13N3O2S/c1-5(2)11(4-7(12)13)8-9-6(3)10-14-8/h5H,4H2,1-3H3,(H,12,13)
InChIKeyJVGBGDOJXIWKQQ-UHFFFAOYSA-N
XLogP1.15
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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

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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-[Methyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304255
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid (CID 65267894) is 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid is Cc1nsc(N(CC(=O)O)C(C)C)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid?
The InChIKey is JVGBGDOJXIWKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)11(4-7(12)13)8-9-6(3)10-14-8/h5H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid?
2-[(3-methyl-1,2,4-thiadiazol-5-yl)-propan-2-ylamino]acetic acid has a molecular weight of 215.28 g/mol, XLogP of 1.15, 4 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)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 65267894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).