4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide

C14H14FN3O2S2 — CID 7150843

IUPAC4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide
SMILESCc1csc2nc(CCNS(=O)(=O)c3ccc(F)cc3)cn12
InChIInChI=1S/C14H14FN3O2S2/c1-10-9-21-14-17-12(8-18(10)14)6-7-16-22(19,20)13-4-2-11(15)3-5-13/h2-5,8-9,16H,6-7H2,1H3
InChIKeyDAEOBTPMKZWKQF-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.36
Rot. Bonds5

About 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide (PubChem CID 7150843) has the molecular formula C14H14FN3O2S2 and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide
PubChem CID7150843
Molecular FormulaC14H14FN3O2S2
Molecular Weight339.42 g/mol
Exact Mass339.05
IUPAC Name4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide
SMILESCc1csc2nc(CCNS(=O)(=O)c3ccc(F)cc3)cn12
InChIInChI=1S/C14H14FN3O2S2/c1-10-9-21-14-17-12(8-18(10)14)6-7-16-22(19,20)13-4-2-11(15)3-5-13/h2-5,8-9,16H,6-7H2,1H3
InChIKeyDAEOBTPMKZWKQF-UHFFFAOYSA-N
XLogP2.36
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide (CID 7150843) is 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide is Cc1csc2nc(CCNS(=O)(=O)c3ccc(F)cc3)cn12.
What is the InChIKey of 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide?
The InChIKey is DAEOBTPMKZWKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S2/c1-10-9-21-14-17-12(8-18(10)14)6-7-16-22(19,20)13-4-2-11(15)3-5-13/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7150843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).