3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C7H7N3O3S2 — CID 65214288

IUPAC3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1csnn1
InChIInChI=1S/C7H7N3O3S2/c11-6(4-1-15-9-8-4)10-3-14-2-5(10)7(12)13/h1,5H,2-3H2,(H,12,13)
InChIKeyBZFIMUXCJUUAPG-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.14
Rot. Bonds2

About 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65214288) has the molecular formula C7H7N3O3S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID65214288
Molecular FormulaC7H7N3O3S2
Molecular Weight245.28 g/mol
Exact Mass244.99
IUPAC Name3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)c1csnn1
InChIInChI=1S/C7H7N3O3S2/c11-6(4-1-15-9-8-4)10-3-14-2-5(10)7(12)13/h1,5H,2-3H2,(H,12,13)
InChIKeyBZFIMUXCJUUAPG-UHFFFAOYSA-N
XLogP0.14
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 65214288) is 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)c1csnn1.
What is the InChIKey of 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BZFIMUXCJUUAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S2/c11-6(4-1-15-9-8-4)10-3-14-2-5(10)7(12)13/h1,5H,2-3H2,(H,12,13).
What are the key properties of 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65214288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).