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

C6H9N3O2S — CID 67312123

IUPAC2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccn[nH]1
InChIInChI=1S/C6H9N3O2S/c10-12(11)5-1-4-9(12)6-2-3-7-8-6/h2-3H,1,4-5H2,(H,7,8)
InChIKeyIOHHSZCSELQCQO-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.05
Rot. Bonds1

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

2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide (PubChem CID 67312123) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide
PubChem CID67312123
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1c1ccn[nH]1
InChIInChI=1S/C6H9N3O2S/c10-12(11)5-1-4-9(12)6-2-3-7-8-6/h2-3H,1,4-5H2,(H,7,8)
InChIKeyIOHHSZCSELQCQO-UHFFFAOYSA-N
XLogP-0.05
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide (CID 67312123) is 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1c1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
The InChIKey is IOHHSZCSELQCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c10-12(11)5-1-4-9(12)6-2-3-7-8-6/h2-3H,1,4-5H2,(H,7,8).
What are the key properties of 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide?
2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide has a molecular weight of 187.22 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yl)-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 67312123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).