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

C7H7N3O3S2 — CID 65214603

IUPAC(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=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)/t5-/m0/s1
InChIKeyBZFIMUXCJUUAPG-YFKPBYRVSA-N
MW245.28 g/mol
LogP0.14
Rot. Bonds2

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

(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65214603) has the molecular formula C7H7N3O3S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID65214603
Molecular FormulaC7H7N3O3S2
Molecular Weight245.28 g/mol
Exact Mass244.99
IUPAC Name(4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=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)/t5-/m0/s1
InChIKeyBZFIMUXCJUUAPG-YFKPBYRVSA-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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Related Compounds

(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214873
4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214861
(4R)-3-(1-methylimidazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 107971313
3-(2-amino-1,3-thiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62789131
3-(6-oxo-1H-pyrazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43211281
(4R)-3-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 66376704
(4R)-3-(6-fluoropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 115496373
3-(6-oxo-1H-pyridazine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359284
3-(1-phenyltriazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359250
(4S)-3-benzoyl-1,3-thiazolidine-4-carboxylic acid
CID 11882190
3-(5-methoxy-1-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114254983
(4R)-3-(2,3,4,5,6-pentamethylbenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143747

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 65214603) is (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)c1csnn1.
What is the InChIKey of (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BZFIMUXCJUUAPG-YFKPBYRVSA-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)/t5-/m0/s1.
What are the key properties of (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-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 (4R)-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65214603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).