2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid

C9H14N4O3S — CID 114913056

IUPAC2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)Nc1cnns1
InChIInChI=1S/C9H14N4O3S/c1-9(2,3)13(5-7(14)15)8(16)11-6-4-10-12-17-6/h4H,5H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyICCFTZBDMNVPOW-UHFFFAOYSA-N
MW258.30 g/mol
LogP1.26
Rot. Bonds3

About 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid

2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid (PubChem CID 114913056) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid
PubChem CID114913056
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid
SMILESCC(C)(C)N(CC(=O)O)C(=O)Nc1cnns1
InChIInChI=1S/C9H14N4O3S/c1-9(2,3)13(5-7(14)15)8(16)11-6-4-10-12-17-6/h4H,5H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyICCFTZBDMNVPOW-UHFFFAOYSA-N
XLogP1.26
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid (CID 114913056) is 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid is CC(C)(C)N(CC(=O)O)C(=O)Nc1cnns1.
What is the InChIKey of 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid?
The InChIKey is ICCFTZBDMNVPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-9(2,3)13(5-7(14)15)8(16)11-6-4-10-12-17-6/h4H,5H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid?
2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid has a molecular weight of 258.30 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(thiadiazol-5-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 114913056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).