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

C10H17N3O2S — CID 65270154

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
SMILESCCc1nsc(N(CC(=O)O)CC(C)C)n1
InChIInChI=1S/C10H17N3O2S/c1-4-8-11-10(16-12-8)13(5-7(2)3)6-9(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyAYUGRHFTZDABHK-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.65
Rot. Bonds6

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

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 65270154) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID65270154
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
SMILESCCc1nsc(N(CC(=O)O)CC(C)C)n1
InChIInChI=1S/C10H17N3O2S/c1-4-8-11-10(16-12-8)13(5-7(2)3)6-9(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyAYUGRHFTZDABHK-UHFFFAOYSA-N
XLogP1.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid (CID 65270154) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid is CCc1nsc(N(CC(=O)O)CC(C)C)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is AYUGRHFTZDABHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-4-8-11-10(16-12-8)13(5-7(2)3)6-9(14)15/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 243.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65270154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).