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

C19H13ClN2O3S — CID 123247235

IUPAC6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(C=c2sc3nc(-c4ccc(Cl)cc4)cn3c2=O)ccc1O
InChIInChI=1S/C19H13ClN2O3S/c1-25-16-8-11(2-7-15(16)23)9-17-18(24)22-10-14(21-19(22)26-17)12-3-5-13(20)6-4-12/h2-10,23H,1H3
InChIKeyYKROTNTYQYGSPW-UHFFFAOYSA-N
MW384.84 g/mol
LogP3.34
Rot. Bonds3

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

6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 123247235) has the molecular formula C19H13ClN2O3S and a molecular weight of 384.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID123247235
Molecular FormulaC19H13ClN2O3S
Molecular Weight384.84 g/mol
Exact Mass384.03
IUPAC Name6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(C=c2sc3nc(-c4ccc(Cl)cc4)cn3c2=O)ccc1O
InChIInChI=1S/C19H13ClN2O3S/c1-25-16-8-11(2-7-15(16)23)9-17-18(24)22-10-14(21-19(22)26-17)12-3-5-13(20)6-4-12/h2-10,23H,1H3
InChIKeyYKROTNTYQYGSPW-UHFFFAOYSA-N
XLogP3.34
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.84
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 73296806
6-(4-chlorophenyl)-2-[[3-(2-fluoroethoxy)-4-hydroxy-5-methoxyphenyl]methylidene]imidazo[2,1-b][1,3]thiazol-3-one
CID 123322197
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
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
(2Z)-2-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-one
CID 144572591
(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
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-6-(2,6-dimethyl-4-pyridinyl)imidazo[2,1-b][1,3]thiazol-3-one
CID 123175285
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one (CID 123247235) is 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one is COc1cc(C=c2sc3nc(-c4ccc(Cl)cc4)cn3c2=O)ccc1O.
What is the InChIKey of 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is YKROTNTYQYGSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O3S/c1-25-16-8-11(2-7-15(16)23)9-17-18(24)22-10-14(21-19(22)26-17)12-3-5-13(20)6-4-12/h2-10,23H,1H3.
What are the key properties of 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 384.84 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 123247235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).