6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one

C22H15ClN2O2S — CID 3064511

IUPAC6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one
SMILESCc1cc2oc(C)c(-c3csc4nc(-c5ccccc5)cn34)c(=O)c2cc1Cl
InChIInChI=1S/C22H15ClN2O2S/c1-12-8-19-15(9-16(12)23)21(26)20(13(2)27-19)18-11-28-22-24-17(10-25(18)22)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyUNWYTGHECRVZOU-UHFFFAOYSA-N
MW406.89 g/mol
LogP6.11
Rot. Bonds2

About 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one

6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one (PubChem CID 3064511) has the molecular formula C22H15ClN2O2S and a molecular weight of 406.89 g/mol. Its IUPAC name is 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one
PubChem CID3064511
Molecular FormulaC22H15ClN2O2S
Molecular Weight406.89 g/mol
Exact Mass406.05
IUPAC Name6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one
SMILESCc1cc2oc(C)c(-c3csc4nc(-c5ccccc5)cn34)c(=O)c2cc1Cl
InChIInChI=1S/C22H15ClN2O2S/c1-12-8-19-15(9-16(12)23)21(26)20(13(2)27-19)18-11-28-22-24-17(10-25(18)22)14-6-4-3-5-7-14/h3-11H,1-2H3
InChIKeyUNWYTGHECRVZOU-UHFFFAOYSA-N
XLogP6.11
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.89
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one?
The IUPAC name of 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one (CID 3064511) is 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one.
What is the SMILES notation for 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one?
The canonical SMILES for 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one is Cc1cc2oc(C)c(-c3csc4nc(-c5ccccc5)cn34)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one?
The InChIKey is UNWYTGHECRVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O2S/c1-12-8-19-15(9-16(12)23)21(26)20(13(2)27-19)18-11-28-22-24-17(10-25(18)22)14-6-4-3-5-7-14/h3-11H,1-2H3.
What are the key properties of 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one?
6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one has a molecular weight of 406.89 g/mol, XLogP of 6.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,7-dimethyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one is sourced from PubChem (CID 3064511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).