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

C21H13ClN2O2S — CID 3064508

IUPAC6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one
SMILESCc1oc2ccc(Cl)cc2c(=O)c1-c1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C21H13ClN2O2S/c1-12-19(20(25)15-9-14(22)7-8-18(15)26-12)17-11-27-21-23-16(10-24(17)21)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyOGFCWEKDPGAFHW-UHFFFAOYSA-N
MW392.87 g/mol
LogP5.80
Rot. Bonds2

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

6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one (PubChem CID 3064508) has the molecular formula C21H13ClN2O2S and a molecular weight of 392.87 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one
PubChem CID3064508
Molecular FormulaC21H13ClN2O2S
Molecular Weight392.87 g/mol
Exact Mass392.04
IUPAC Name6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one
SMILESCc1oc2ccc(Cl)cc2c(=O)c1-c1csc2nc(-c3ccccc3)cn12
InChIInChI=1S/C21H13ClN2O2S/c1-12-19(20(25)15-9-14(22)7-8-18(15)26-12)17-11-27-21-23-16(10-24(17)21)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyOGFCWEKDPGAFHW-UHFFFAOYSA-N
XLogP5.80
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.87
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-methyl-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-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one?
The IUPAC name of 6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one (CID 3064508) is 6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one.
What is the SMILES notation for 6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one?
The canonical SMILES for 6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one is Cc1oc2ccc(Cl)cc2c(=O)c1-c1csc2nc(-c3ccccc3)cn12.
What is the InChIKey of 6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one?
The InChIKey is OGFCWEKDPGAFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O2S/c1-12-19(20(25)15-9-14(22)7-8-18(15)26-12)17-11-27-21-23-16(10-24(17)21)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one?
6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one has a molecular weight of 392.87 g/mol, XLogP of 5.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)chromen-4-one is sourced from PubChem (CID 3064508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).