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

C11H17N3O2S — CID 65270101

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nc(C2CC2)ns1
InChIInChI=1S/C11H17N3O2S/c1-7(2)5-14(6-9(15)16)11-12-10(13-17-11)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyLTKGHSVXUHJVEW-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.96
Rot. Bonds6

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

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 65270101) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID65270101
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nc(C2CC2)ns1
InChIInChI=1S/C11H17N3O2S/c1-7(2)5-14(6-9(15)16)11-12-10(13-17-11)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyLTKGHSVXUHJVEW-UHFFFAOYSA-N
XLogP1.96
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid (CID 65270101) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)c1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is LTKGHSVXUHJVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7(2)5-14(6-9(15)16)11-12-10(13-17-11)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 255.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65270101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).