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

C11H19N3O2S — CID 65270104

IUPAC2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3O2S/c1-7(2)5-14(6-9(15)16)11-12-10(8(3)4)13-17-11/h7-8H,5-6H2,1-4H3,(H,15,16)
InChIKeyJZGHQRHMVOHABH-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.21
Rot. Bonds6

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

2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid (PubChem CID 65270104) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid
PubChem CID65270104
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3O2S/c1-7(2)5-14(6-9(15)16)11-12-10(8(3)4)13-17-11/h7-8H,5-6H2,1-4H3,(H,15,16)
InChIKeyJZGHQRHMVOHABH-UHFFFAOYSA-N
XLogP2.21
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid (CID 65270104) is 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid is CC(C)CN(CC(=O)O)c1nc(C(C)C)ns1.
What is the InChIKey of 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
The InChIKey is JZGHQRHMVOHABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-7(2)5-14(6-9(15)16)11-12-10(8(3)4)13-17-11/h7-8H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid?
2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid has a molecular weight of 257.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetic acid is sourced from PubChem (CID 65270104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).