2-ethyl-1,3-thiazole-5-sulfonyl chloride

C5H6ClNO2S2 — CID 55280414

IUPAC2-ethyl-1,3-thiazole-5-sulfonyl chloride
SMILESCCc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C5H6ClNO2S2/c1-2-4-7-3-5(10-4)11(6,8)9/h3H,2H2,1H3
InChIKeyYGJJLEKBSKRZRI-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.63
Rot. Bonds2

About 2-ethyl-1,3-thiazole-5-sulfonyl chloride

2-ethyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 55280414) has the molecular formula C5H6ClNO2S2 and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-ethyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID55280414
Molecular FormulaC5H6ClNO2S2
Molecular Weight211.69 g/mol
Exact Mass210.95
IUPAC Name2-ethyl-1,3-thiazole-5-sulfonyl chloride
SMILESCCc1ncc(S(=O)(=O)Cl)s1
InChIInChI=1S/C5H6ClNO2S2/c1-2-4-7-3-5(10-4)11(6,8)9/h3H,2H2,1H3
InChIKeyYGJJLEKBSKRZRI-UHFFFAOYSA-N
XLogP1.63
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-ethyl-1,3-thiazole-5-sulfonyl chloride (CID 55280414) is 2-ethyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-ethyl-1,3-thiazole-5-sulfonyl chloride is CCc1ncc(S(=O)(=O)Cl)s1.
What is the InChIKey of 2-ethyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is YGJJLEKBSKRZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2S2/c1-2-4-7-3-5(10-4)11(6,8)9/h3H,2H2,1H3.
What are the key properties of 2-ethyl-1,3-thiazole-5-sulfonyl chloride?
2-ethyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 211.69 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 55280414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).