2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide

C10H11N3O2S — CID 141043599

IUPAC2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H11N3O2S/c14-16(15)5-1-4-13(16)9-2-3-10-8(6-9)7-11-12-10/h2-3,6-7H,1,4-5H2,(H,11,12)
InChIKeyWJGHLTXXGHTQMZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.10
Rot. Bonds1

About 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide

2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 141043599) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID141043599
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccc2[nH]ncc2c1
InChIInChI=1S/C10H11N3O2S/c14-16(15)5-1-4-13(16)9-2-3-10-8(6-9)7-11-12-10/h2-3,6-7H,1,4-5H2,(H,11,12)
InChIKeyWJGHLTXXGHTQMZ-UHFFFAOYSA-N
XLogP1.10
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide (CID 141043599) is 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is WJGHLTXXGHTQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-16(15)5-1-4-13(16)9-2-3-10-8(6-9)7-11-12-10/h2-3,6-7H,1,4-5H2,(H,11,12).
What are the key properties of 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 237.28 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 141043599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).