2-ethyl-1,3-thiazole-5-sulfonic acid

C5H7NO3S2 — CID 89436085

IUPAC2-ethyl-1,3-thiazole-5-sulfonic acid
SMILESCCc1ncc(S(=O)(=O)O)s1
InChIInChI=1S/C5H7NO3S2/c1-2-4-6-3-5(10-4)11(7,8)9/h3H,2H2,1H3,(H,7,8,9)
InChIKeyVROOGOJXYMTBFS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.95
Rot. Bonds2

About 2-ethyl-1,3-thiazole-5-sulfonic acid

2-ethyl-1,3-thiazole-5-sulfonic acid (PubChem CID 89436085) has the molecular formula C5H7NO3S2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazole-5-sulfonic acid.

Molecular Properties

Compound Name2-ethyl-1,3-thiazole-5-sulfonic acid
PubChem CID89436085
Molecular FormulaC5H7NO3S2
Molecular Weight193.25 g/mol
Exact Mass192.99
IUPAC Name2-ethyl-1,3-thiazole-5-sulfonic acid
SMILESCCc1ncc(S(=O)(=O)O)s1
InChIInChI=1S/C5H7NO3S2/c1-2-4-6-3-5(10-4)11(7,8)9/h3H,2H2,1H3,(H,7,8,9)
InChIKeyVROOGOJXYMTBFS-UHFFFAOYSA-N
XLogP0.95
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-Methylthiazole-5-sulfonamide
CID 13517396
2-Methyl-1,3-thiazole-5-sulfonyl chloride
CID 53441758
2-Ethyl-1,3-thiazole-5-sulfonyl chloride
CID 55280414
2-Cyclopropyl-1,3-thiazole-5-sulfonyl chloride
CID 122163904
2-(1,1-Difluoroethyl)-1,3-thiazole-5-sulfonylchloride
CID 155973595
5-Thiazolesulfonyl fluoride, 2-methyl-
CID 125454234
2-Tert-butyl-1,3-thiazole-5-sulfonyl chloride
CID 132351169
Lithium(1+) 2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfinate
CID 155973436
1,3-Thiazole-5-sulfonic acid
CID 13899663
Sulfomethylthiazol
CID 58571358
2-(Trifluoromethyl)-1,3-thiazole-5-sulfonic acid
CID 21459849
2-(Fluoromethyl)-1,3-thiazole-5-sulfonic acid
CID 88403091

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazole-5-sulfonic acid?
The IUPAC name of 2-ethyl-1,3-thiazole-5-sulfonic acid (CID 89436085) is 2-ethyl-1,3-thiazole-5-sulfonic acid.
What is the SMILES notation for 2-ethyl-1,3-thiazole-5-sulfonic acid?
The canonical SMILES for 2-ethyl-1,3-thiazole-5-sulfonic acid is CCc1ncc(S(=O)(=O)O)s1.
What is the InChIKey of 2-ethyl-1,3-thiazole-5-sulfonic acid?
The InChIKey is VROOGOJXYMTBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S2/c1-2-4-6-3-5(10-4)11(7,8)9/h3H,2H2,1H3,(H,7,8,9).
What are the key properties of 2-ethyl-1,3-thiazole-5-sulfonic acid?
2-ethyl-1,3-thiazole-5-sulfonic acid has a molecular weight of 193.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazole-5-sulfonic acid is sourced from PubChem (CID 89436085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).