2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride

C8H12ClNO3S2 — CID 125493838

IUPAC2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)c(OC(C)C)s1
InChIInChI=1S/C8H12ClNO3S2/c1-4-6-10-7(15(9,11)12)8(14-6)13-5(2)3/h5H,4H2,1-3H3
InChIKeyOCZPQJWVIZCSQH-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.42
Rot. Bonds4

About 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride

2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride (PubChem CID 125493838) has the molecular formula C8H12ClNO3S2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride
PubChem CID125493838
Molecular FormulaC8H12ClNO3S2
Molecular Weight269.77 g/mol
Exact Mass268.99
IUPAC Name2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride
SMILESCCc1nc(S(=O)(=O)Cl)c(OC(C)C)s1
InChIInChI=1S/C8H12ClNO3S2/c1-4-6-10-7(15(9,11)12)8(14-6)13-5(2)3/h5H,4H2,1-3H3
InChIKeyOCZPQJWVIZCSQH-UHFFFAOYSA-N
XLogP2.42
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Ethoxy-2-(trifluoromethyl)-1,3-thiazole-4-sulfonyl chloride
CID 118164776
2-Ethyl-5-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-sulfonyl chloride
CID 125493810
5-Ethoxy-2-methyl-1,3-thiazole-4-sulfonamide
CID 15077123
5-Ethoxy-2-methyl-1,3-thiazole-4-sulfonyl chloride
CID 71324574
2-Cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride
CID 118164786
5-Ethoxy-2-ethyl-1,3-thiazole-4-sulfonyl chloride
CID 118164787
5-Ethoxy-2-ethyl-1,3-thiazole-4-sulfonic acid
CID 118164853

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride (CID 125493838) is 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride is CCc1nc(S(=O)(=O)Cl)c(OC(C)C)s1.
What is the InChIKey of 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is OCZPQJWVIZCSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3S2/c1-4-6-10-7(15(9,11)12)8(14-6)13-5(2)3/h5H,4H2,1-3H3.
What are the key properties of 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride?
2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 269.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-propan-2-yloxy-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 125493838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).