2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid

C8H12N4O3S — CID 114913016

IUPAC2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Nc1cnns1
InChIInChI=1S/C8H12N4O3S/c1-5(2)12(4-7(13)14)8(15)10-6-3-9-11-16-6/h3,5H,4H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyFOOGLEUAIJNYAI-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.87
Rot. Bonds4

About 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid

2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid (PubChem CID 114913016) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid
PubChem CID114913016
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Nc1cnns1
InChIInChI=1S/C8H12N4O3S/c1-5(2)12(4-7(13)14)8(15)10-6-3-9-11-16-6/h3,5H,4H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyFOOGLEUAIJNYAI-UHFFFAOYSA-N
XLogP0.87
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid (CID 114913016) is 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)Nc1cnns1.
What is the InChIKey of 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid?
The InChIKey is FOOGLEUAIJNYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-5(2)12(4-7(13)14)8(15)10-6-3-9-11-16-6/h3,5H,4H2,1-2H3,(H,10,15)(H,13,14).
What are the key properties of 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid?
2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid has a molecular weight of 244.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(thiadiazol-5-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 114913016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).