(E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide

C20H19N3O2S2 — CID 117054849

IUPAC(E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(C3=CSC4=NCCN34)cc2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-15-2-4-16(5-3-15)10-13-27(24,25)22-18-8-6-17(7-9-18)19-14-26-20-21-11-12-23(19)20/h2-10,13-14,22H,11-12H2,1H3/b13-10+
InChIKeyVFEBKRGMHXIAAT-JLHYYAGUSA-N
MW397.53 g/mol
LogP4.12
Rot. Bonds5

About (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 117054849) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID117054849
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name(E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)Nc2ccc(C3=CSC4=NCCN34)cc2)cc1
InChIInChI=1S/C20H19N3O2S2/c1-15-2-4-16(5-3-15)10-13-27(24,25)22-18-8-6-17(7-9-18)19-14-26-20-21-11-12-23(19)20/h2-10,13-14,22H,11-12H2,1H3/b13-10+
InChIKeyVFEBKRGMHXIAAT-JLHYYAGUSA-N
XLogP4.12
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide (CID 117054849) is (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C3=CSC4=NCCN34)cc2)cc1.
What is the InChIKey of (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is VFEBKRGMHXIAAT-JLHYYAGUSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-15-2-4-16(5-3-15)10-13-27(24,25)22-18-8-6-17(7-9-18)19-14-26-20-21-11-12-23(19)20/h2-10,13-14,22H,11-12H2,1H3/b13-10+.
What are the key properties of (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 397.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)phenyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 117054849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).