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

C12H21N3O2S — CID 65270153

IUPAC2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C12H21N3O2S/c1-8(2)6-15(7-9(16)17)11-13-10(14-18-11)12(3,4)5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyUFZCZZKWVPJNEP-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.38
Rot. Bonds5

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

2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid (PubChem CID 65270153) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
PubChem CID65270153
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)c1nc(C(C)(C)C)ns1
InChIInChI=1S/C12H21N3O2S/c1-8(2)6-15(7-9(16)17)11-13-10(14-18-11)12(3,4)5/h8H,6-7H2,1-5H3,(H,16,17)
InChIKeyUFZCZZKWVPJNEP-UHFFFAOYSA-N
XLogP2.38
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid (CID 65270153) is 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid is CC(C)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)-(2-methylpropyl)amino]acetic acid?
The InChIKey is UFZCZZKWVPJNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8(2)6-15(7-9(16)17)11-13-10(14-18-11)12(3,4)5/h8H,6-7H2,1-5H3,(H,16,17).
What are the key properties of 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid?
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 271.39 g/mol, XLogP of 2.38, 5 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)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 65270153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).