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

C10H11N3O3S — CID 104669661

IUPAC2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ccnnc1
InChIInChI=1S/C10H11N3O3S/c1-6-13(8(5-17-6)10(15)16)9(14)7-2-3-11-12-4-7/h2-4,6,8H,5H2,1H3,(H,15,16)
InChIKeyVBLOPZRVAMGEMA-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.46
Rot. Bonds2

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

2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 104669661) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID104669661
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)c1ccnnc1
InChIInChI=1S/C10H11N3O3S/c1-6-13(8(5-17-6)10(15)16)9(14)7-2-3-11-12-4-7/h2-4,6,8H,5H2,1H3,(H,15,16)
InChIKeyVBLOPZRVAMGEMA-UHFFFAOYSA-N
XLogP0.46
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792654
3-(4-carbamoylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793205
3-(4-iodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791430
2-methyl-3-(thiadiazole-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791944
3-(3-amino-4-methylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792511
3-(3,5-difluorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793201
2-methyl-3-(2-methylpyrazole-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791089
2-methyl-3-(5-methylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 114819012
3-(4-fluoro-3-methylbenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792472
3-(4-bromo-3-chlorobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 81290888
3-(3-chloro-4-iodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103219146
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-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 104669661) is 2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)c1ccnnc1.
What is the InChIKey of 2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VBLOPZRVAMGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-6-13(8(5-17-6)10(15)16)9(14)7-2-3-11-12-4-7/h2-4,6,8H,5H2,1H3,(H,15,16).
What are the key properties of 2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 253.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyridazine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 104669661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).