5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole

C17H11ClN2S2 — CID 704333

IUPAC5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(Sc2c(-c3ccccc3)nc3sccn23)cc1
InChIInChI=1S/C17H11ClN2S2/c18-13-6-8-14(9-7-13)22-16-15(12-4-2-1-3-5-12)19-17-20(16)10-11-21-17/h1-11H
InChIKeyCRTHDAUSIDUEFA-UHFFFAOYSA-N
MW342.88 g/mol
LogP5.87
Rot. Bonds3

About 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole

5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole (PubChem CID 704333) has the molecular formula C17H11ClN2S2 and a molecular weight of 342.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole
PubChem CID704333
Molecular FormulaC17H11ClN2S2
Molecular Weight342.88 g/mol
Exact Mass342.01
IUPAC Name5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(Sc2c(-c3ccccc3)nc3sccn23)cc1
InChIInChI=1S/C17H11ClN2S2/c18-13-6-8-14(9-7-13)22-16-15(12-4-2-1-3-5-12)19-17-20(16)10-11-21-17/h1-11H
InChIKeyCRTHDAUSIDUEFA-UHFFFAOYSA-N
XLogP5.87
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.88
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole (CID 704333) is 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole is Clc1ccc(Sc2c(-c3ccccc3)nc3sccn23)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole?
The InChIKey is CRTHDAUSIDUEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2S2/c18-13-6-8-14(9-7-13)22-16-15(12-4-2-1-3-5-12)19-17-20(16)10-11-21-17/h1-11H.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole?
5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole has a molecular weight of 342.88 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-6-phenylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 704333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).