2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one

C18H12ClN3O3S — CID 123455015

IUPAC2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(C=c2sc3nc(-c4ccncc4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C18H12ClN3O3S/c1-25-14-7-10(6-12(19)16(14)23)8-15-17(24)22-9-13(21-18(22)26-15)11-2-4-20-5-3-11/h2-9,23H,1H3
InChIKeyDRHZCLHKHAZVSF-UHFFFAOYSA-N
MW385.83 g/mol
LogP2.73
Rot. Bonds3

About 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one

2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 123455015) has the molecular formula C18H12ClN3O3S and a molecular weight of 385.83 g/mol. Its IUPAC name is 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID123455015
Molecular FormulaC18H12ClN3O3S
Molecular Weight385.83 g/mol
Exact Mass385.03
IUPAC Name2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(C=c2sc3nc(-c4ccncc4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C18H12ClN3O3S/c1-25-14-7-10(6-12(19)16(14)23)8-15-17(24)22-9-13(21-18(22)26-15)11-2-4-20-5-3-11/h2-9,23H,1H3
InChIKeyDRHZCLHKHAZVSF-UHFFFAOYSA-N
XLogP2.73
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 118115259
4-[(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]benzoic acid
CID 73295907
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-[4-(diethylamino)phenyl]imidazo[2,1-b][1,3]thiazol-3-one
CID 73295739
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
3-[2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-3-oxoimidazo[2,1-b][1,3]thiazol-6-yl]-N-prop-2-enylbenzamide
CID 123948103
(2Z)-2-[(3-fluoro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 90040771
(2Z)-2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-3-one
CID 118115577
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
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
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
6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 123322197

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one (CID 123455015) is 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one is COc1cc(C=c2sc3nc(-c4ccncc4)cn3c2=O)cc(Cl)c1O.
What is the InChIKey of 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is DRHZCLHKHAZVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3S/c1-25-14-7-10(6-12(19)16(14)23)8-15-17(24)22-9-13(21-18(22)26-15)11-2-4-20-5-3-11/h2-9,23H,1H3.
What are the key properties of 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one?
2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 385.83 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 123455015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).