2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

C8H12N4O3S — CID 61192597

IUPAC2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C8H12N4O3S/c1-2-3-12(4-6(13)14)8(15)10-7-11-9-5-16-7/h5H,2-4H2,1H3,(H,13,14)(H,10,11,15)
InChIKeyXQHOKZAPESIRKA-UHFFFAOYSA-N
MW244.28 g/mol
LogP0.87
Rot. Bonds5

About 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid

2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (PubChem CID 61192597) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
PubChem CID61192597
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Nc1nncs1
InChIInChI=1S/C8H12N4O3S/c1-2-3-12(4-6(13)14)8(15)10-7-11-9-5-16-7/h5H,2-4H2,1H3,(H,13,14)(H,10,11,15)
InChIKeyXQHOKZAPESIRKA-UHFFFAOYSA-N
XLogP0.87
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid (CID 61192597) is 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is CCCN(CC(=O)O)C(=O)Nc1nncs1.
What is the InChIKey of 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
The InChIKey is XQHOKZAPESIRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c1-2-3-12(4-6(13)14)8(15)10-7-11-9-5-16-7/h5H,2-4H2,1H3,(H,13,14)(H,10,11,15).
What are the key properties of 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid?
2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid has a molecular weight of 244.28 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propyl(1,3,4-thiadiazol-2-ylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 61192597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).