2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C8H9N3O3S2 — CID 63791944

IUPAC2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1cnns1
InChIInChI=1S/C8H9N3O3S2/c1-4-11(5(3-15-4)8(13)14)7(12)6-2-9-10-16-6/h2,4-5H,3H2,1H3,(H,13,14)
InChIKeyWKHKEKZYFHRPEQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.53
Rot. Bonds2

About 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791944) has the molecular formula C8H9N3O3S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791944
Molecular FormulaC8H9N3O3S2
Molecular Weight259.31 g/mol
Exact Mass259.01
IUPAC Name2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1cnns1
InChIInChI=1S/C8H9N3O3S2/c1-4-11(5(3-15-4)8(13)14)7(12)6-2-9-10-16-6/h2,4-5H,3H2,1H3,(H,13,14)
InChIKeyWKHKEKZYFHRPEQ-UHFFFAOYSA-N
XLogP0.53
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104669661
2-methyl-3-(3,4,5-trichloropyridine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790565
1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43522625
3-(3,5-difluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793201
3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793205
3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654
3-(4-iodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791430
2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791089
2-methyl-3-(5-nitrothiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792679
3-(3-amino-4-methylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792511
3-(6-chloropyridine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791784
2-methyl-3-(3-methylthiophene-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63792326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63791944) is 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1cnns1.
What is the InChIKey of 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WKHKEKZYFHRPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3S2/c1-4-11(5(3-15-4)8(13)14)7(12)6-2-9-10-16-6/h2,4-5H,3H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).