6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one

C21H16ClFN2O4S — CID 123322197

IUPAC6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(C=c2sc3nc(-c4ccc(Cl)cc4)cn3c2=O)cc(OCCF)c1O
InChIInChI=1S/C21H16ClFN2O4S/c1-28-16-8-12(9-17(19(16)26)29-7-6-23)10-18-20(27)25-11-15(24-21(25)30-18)13-2-4-14(22)5-3-13/h2-5,8-11,26H,6-7H2,1H3
InChIKeyQBWIMPRNRUXKNQ-UHFFFAOYSA-N
MW446.89 g/mol
LogP3.69
Rot. Bonds6

About 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one

6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 123322197) has the molecular formula C21H16ClFN2O4S and a molecular weight of 446.89 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID123322197
Molecular FormulaC21H16ClFN2O4S
Molecular Weight446.89 g/mol
Exact Mass446.05
IUPAC Name6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(C=c2sc3nc(-c4ccc(Cl)cc4)cn3c2=O)cc(OCCF)c1O
InChIInChI=1S/C21H16ClFN2O4S/c1-28-16-8-12(9-17(19(16)26)29-7-6-23)10-18-20(27)25-11-15(24-21(25)30-18)13-2-4-14(22)5-3-13/h2-5,8-11,26H,6-7H2,1H3
InChIKeyQBWIMPRNRUXKNQ-UHFFFAOYSA-N
XLogP3.69
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.89
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-fluoroethoxy)-4-[(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-methylbenzamide
CID 73296384
6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 123247235
(2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 73296806
4-[(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-[2-(2-fluoroethoxy)ethyl]-N-methylbenzamide
CID 118115300
4-[(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]benzoic acid
CID 73295907
2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 123455015
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 118115259
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
CID 73295739
(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 90040771
(2Z)-6-[4-(3-fluoroazetidine-1-carbonyl)phenyl]-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 118115423
3-[(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-(2-fluoroethyl)-N-methylbenzamide
CID 73296379
2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(4-fluoropiperidine-1-carbonyl)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
CID 123833387

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one (CID 123322197) is 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one is COc1cc(C=c2sc3nc(-c4ccc(Cl)cc4)cn3c2=O)cc(OCCF)c1O.
What is the InChIKey of 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is QBWIMPRNRUXKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClFN2O4S/c1-28-16-8-12(9-17(19(16)26)29-7-6-23)10-18-20(27)25-11-15(24-21(25)30-18)13-2-4-14(22)5-3-13/h2-5,8-11,26H,6-7H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 446.89 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 123322197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).