2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid

C8H9N3O3S — CID 65214237

IUPAC2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C8H9N3O3S/c12-7(13)3-11(5-1-2-5)8(14)6-4-15-10-9-6/h4-5H,1-3H2,(H,12,13)
InChIKeyRALFJAUOAXBOGV-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.23
Rot. Bonds4

About 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid

2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid (PubChem CID 65214237) has the molecular formula C8H9N3O3S and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid
PubChem CID65214237
Molecular FormulaC8H9N3O3S
Molecular Weight227.24 g/mol
Exact Mass227.04
IUPAC Name2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1csnn1)C1CC1
InChIInChI=1S/C8H9N3O3S/c12-7(13)3-11(5-1-2-5)8(14)6-4-15-10-9-6/h4-5H,1-3H2,(H,12,13)
InChIKeyRALFJAUOAXBOGV-UHFFFAOYSA-N
XLogP0.23
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid (CID 65214237) is 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1csnn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid?
The InChIKey is RALFJAUOAXBOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S/c12-7(13)3-11(5-1-2-5)8(14)6-4-15-10-9-6/h4-5H,1-3H2,(H,12,13).
What are the key properties of 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid?
2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid has a molecular weight of 227.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiadiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 65214237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).