(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

C6H7N3O2S2 — CID 130592481

IUPAC(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2csnn2)N1
InChIInChI=1S/C6H7N3O2S2/c10-6(11)4-1-12-5(7-4)3-2-13-9-8-3/h2,4-5,7H,1H2,(H,10,11)/t4-,5?/m1/s1
InChIKeyOPJLSGVARMOLHI-CNZKWPKMSA-N
MW217.27 g/mol
LogP0.33
Rot. Bonds2

About (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid

(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 130592481) has the molecular formula C6H7N3O2S2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID130592481
Molecular FormulaC6H7N3O2S2
Molecular Weight217.27 g/mol
Exact Mass217.00
IUPAC Name(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2csnn2)N1
InChIInChI=1S/C6H7N3O2S2/c10-6(11)4-1-12-5(7-4)3-2-13-9-8-3/h2,4-5,7H,1H2,(H,10,11)/t4-,5?/m1/s1
InChIKeyOPJLSGVARMOLHI-CNZKWPKMSA-N
XLogP0.33
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4S)-2-[4-[(2R,4S)-4-carboxy-1,3-thiazolidin-2-yl]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 694997
(4S)-2-pyrimidin-4-yl-1,3-thiazolidine-4-carboxylic acid
CID 107773774
(2R)-2-pyrimidin-5-yl-1,3-thiazolidine-4-carboxylic acid
CID 68805778
2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 68806943
2-(1-methylimidazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 126985113
2-(1-methylpyrazol-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 131071428
2-[1-(2-hydroxyethyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 80500578
2-(2-chloro-1,3-thiazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 53270081
(4S)-2-[1-(3-hydroxypropyl)triazol-4-yl]-1,3-thiazolidine-4-carboxylic acid
CID 107774076
(4S)-2-(8-hydroxyquinolin-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 91623324
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
(4S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 107774027

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid (CID 130592481) is (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSC(c2csnn2)N1.
What is the InChIKey of (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OPJLSGVARMOLHI-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H7N3O2S2/c10-6(11)4-1-12-5(7-4)3-2-13-9-8-3/h2,4-5,7H,1H2,(H,10,11)/t4-,5?/m1/s1.
What are the key properties of (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(thiadiazol-4-yl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 130592481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).