6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one

C21H12Cl2N2O2S — CID 3064509

IUPAC6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one
SMILESCc1oc2ccc(Cl)cc2c(=O)c1-c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C21H12Cl2N2O2S/c1-11-19(20(26)15-8-14(23)6-7-18(15)27-11)17-10-28-21-24-16(9-25(17)21)12-2-4-13(22)5-3-12/h2-10H,1H3
InChIKeyNQZTZEVWZXQNEZ-UHFFFAOYSA-N
MW427.31 g/mol
LogP6.45
Rot. Bonds2

About 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one

6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one (PubChem CID 3064509) has the molecular formula C21H12Cl2N2O2S and a molecular weight of 427.31 g/mol. Its IUPAC name is 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one
PubChem CID3064509
Molecular FormulaC21H12Cl2N2O2S
Molecular Weight427.31 g/mol
Exact Mass426.00
IUPAC Name6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one
SMILESCc1oc2ccc(Cl)cc2c(=O)c1-c1csc2nc(-c3ccc(Cl)cc3)cn12
InChIInChI=1S/C21H12Cl2N2O2S/c1-11-19(20(26)15-8-14(23)6-7-18(15)27-11)17-10-28-21-24-16(9-25(17)21)12-2-4-13(22)5-3-12/h2-10H,1H3
InChIKeyNQZTZEVWZXQNEZ-UHFFFAOYSA-N
XLogP6.45
TPSA47.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.31
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-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

Related Compounds

3-[2-(4-chlorobenzyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2H-chromen-2-one
CID 4636717
5-chloro-2-methoxy-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]benzamide
CID 5310155
6-Chloro-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one
CID 403446
4H-1-Benzopyran-4-one, 6-chloro-2-methyl-3-(6-phenylimidazo(2,1-b)thiazol-3-yl)-
CID 3064508
4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2-methyl-
CID 3064510
4H-1-Benzopyran-4-one, 6-chloro-2,7-dimethyl-3-(6-phenylimidazo(2,1-b)thiazol-3-yl)-
CID 3064511
4H-1-Benzopyran-4-one, 3-(6-(4-bromophenyl)imidazo(2,1-b)thiazol-3-yl)-6-chloro-2,7-dimethyl-
CID 3064512
4H-1-Benzopyran-4-one, 3-(6-(4-chlorophenyl)imidazo(2,1-b)thiazol-3-yl)-2,6-dimethyl-
CID 3064513
4-chloro-N-[(E)-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]benzamide
CID 162655753
5-chloro-N-(3-(imidazo[2,1-b]thiazol-6-yl)phenyl)-2-methoxybenzamide
CID 40506175
5-chloro-2-methoxy-N-(3-(3-methylimidazo[2,1-b]thiazol-6-yl)phenyl)benzamide
CID 40506291
N-benzyl-N-[2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethyl]-2-methoxybenzamide
CID 4226824

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one?
The IUPAC name of 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one (CID 3064509) is 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one.
What is the SMILES notation for 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one?
The canonical SMILES for 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one is Cc1oc2ccc(Cl)cc2c(=O)c1-c1csc2nc(-c3ccc(Cl)cc3)cn12.
What is the InChIKey of 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one?
The InChIKey is NQZTZEVWZXQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N2O2S/c1-11-19(20(26)15-8-14(23)6-7-18(15)27-11)17-10-28-21-24-16(9-25(17)21)12-2-4-13(22)5-3-12/h2-10H,1H3.
What are the key properties of 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one?
6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one has a molecular weight of 427.31 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-2-methylchromen-4-one is sourced from PubChem (CID 3064509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).