N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide

C5H6N2O2S3 — CID 22406967

IUPACN-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC=S)c1cncs1
InChIInChI=1S/C5H6N2O2S3/c8-12(9,7-1-2-10)5-3-6-4-11-5/h2-4,7H,1H2
InChIKeyQOWATAMVMIWWHP-UHFFFAOYSA-N
MW222.32 g/mol
LogP0.42
Rot. Bonds4

About N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide

N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide (PubChem CID 22406967) has the molecular formula C5H6N2O2S3 and a molecular weight of 222.32 g/mol. Its IUPAC name is N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide
PubChem CID22406967
Molecular FormulaC5H6N2O2S3
Molecular Weight222.32 g/mol
Exact Mass221.96
IUPAC NameN-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide
SMILESO=S(=O)(NCC=S)c1cncs1
InChIInChI=1S/C5H6N2O2S3/c8-12(9,7-1-2-10)5-3-6-4-11-5/h2-4,7H,1H2
InChIKeyQOWATAMVMIWWHP-UHFFFAOYSA-N
XLogP0.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide (CID 22406967) is N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide is O=S(=O)(NCC=S)c1cncs1.
What is the InChIKey of N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide?
The InChIKey is QOWATAMVMIWWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S3/c8-12(9,7-1-2-10)5-3-6-4-11-5/h2-4,7H,1H2.
What are the key properties of N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide?
N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide has a molecular weight of 222.32 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 22406967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).