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

C10H13N3O3S2 — CID 65214398

IUPAC2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1csnn1
InChIInChI=1S/C10H13N3O3S2/c1-2-3-8-13(7(5-17-8)10(15)16)9(14)6-4-18-12-11-6/h4,7-8H,2-3,5H2,1H3,(H,15,16)
InChIKeySNNJWMGQFJOXHM-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.31
Rot. Bonds4

About 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 65214398) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID65214398
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)c1csnn1
InChIInChI=1S/C10H13N3O3S2/c1-2-3-8-13(7(5-17-8)10(15)16)9(14)6-4-18-12-11-6/h4,7-8H,2-3,5H2,1H3,(H,15,16)
InChIKeySNNJWMGQFJOXHM-UHFFFAOYSA-N
XLogP1.31
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 65214398) is 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)c1csnn1.
What is the InChIKey of 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SNNJWMGQFJOXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-2-3-8-13(7(5-17-8)10(15)16)9(14)6-4-18-12-11-6/h4,7-8H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.37 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-(thiadiazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 65214398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).