2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride

C8H10ClNO3S2 — CID 118164786

IUPAC2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride
SMILESCCOc1sc(C2CC2)nc1S(=O)(=O)Cl
InChIInChI=1S/C8H10ClNO3S2/c1-2-13-8-7(15(9,11)12)10-6(14-8)5-3-4-5/h5H,2-4H2,1H3
InChIKeyCFNXWCAMDIWDJV-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.35
Rot. Bonds4

About 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride

2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride (PubChem CID 118164786) has the molecular formula C8H10ClNO3S2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride
PubChem CID118164786
Molecular FormulaC8H10ClNO3S2
Molecular Weight267.76 g/mol
Exact Mass266.98
IUPAC Name2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride
SMILESCCOc1sc(C2CC2)nc1S(=O)(=O)Cl
InChIInChI=1S/C8H10ClNO3S2/c1-2-13-8-7(15(9,11)12)10-6(14-8)5-3-4-5/h5H,2-4H2,1H3
InChIKeyCFNXWCAMDIWDJV-UHFFFAOYSA-N
XLogP2.35
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride?
The IUPAC name of 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride (CID 118164786) is 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride.
What is the SMILES notation for 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride?
The canonical SMILES for 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride is CCOc1sc(C2CC2)nc1S(=O)(=O)Cl.
What is the InChIKey of 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride?
The InChIKey is CFNXWCAMDIWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S2/c1-2-13-8-7(15(9,11)12)10-6(14-8)5-3-4-5/h5H,2-4H2,1H3.
What are the key properties of 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride?
2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride has a molecular weight of 267.76 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethoxy-1,3-thiazole-4-sulfonyl chloride is sourced from PubChem (CID 118164786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).