2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

C10H15N3O4S2 — CID 55235148

IUPAC2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O4S2/c1-6(2)9-13(8(5-18-9)10(14)15)19(16,17)7-3-11-12-4-7/h3-4,6,8-9H,5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyOOPWINLIKNIKMW-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.58
Rot. Bonds4

About 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid

2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55235148) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55235148
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H15N3O4S2/c1-6(2)9-13(8(5-18-9)10(14)15)19(16,17)7-3-11-12-4-7/h3-4,6,8-9H,5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyOOPWINLIKNIKMW-UHFFFAOYSA-N
XLogP0.58
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55235148) is 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OOPWINLIKNIKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-6(2)9-13(8(5-18-9)10(14)15)19(16,17)7-3-11-12-4-7/h3-4,6,8-9H,5H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid?
2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(1H-pyrazol-4-ylsulfonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55235148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).