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

C20H15ClN2O4S — CID 73296378

IUPAC(2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)cn3c2=O)cc(OC)c1O
InChIInChI=1S/C20H15ClN2O4S/c1-26-15-7-11(8-16(27-2)18(15)24)9-17-19(25)23-10-14(22-20(23)28-17)12-3-5-13(21)6-4-12/h3-10,24H,1-2H3/b17-9-
InChIKeyJLPMGOFESRTFLV-MFOYZWKCSA-N
MW414.87 g/mol
LogP3.35
Rot. Bonds4

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

(2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 73296378) has the molecular formula C20H15ClN2O4S and a molecular weight of 414.87 g/mol. Its IUPAC name is (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID73296378
Molecular FormulaC20H15ClN2O4S
Molecular Weight414.87 g/mol
Exact Mass414.04
IUPAC Name(2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)cn3c2=O)cc(OC)c1O
InChIInChI=1S/C20H15ClN2O4S/c1-26-15-7-11(8-16(27-2)18(15)24)9-17-19(25)23-10-14(22-20(23)28-17)12-3-5-13(21)6-4-12/h3-10,24H,1-2H3/b17-9-
InChIKeyJLPMGOFESRTFLV-MFOYZWKCSA-N
XLogP3.35
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one (CID 73296378) is (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one is COc1cc(/C=c2\sc3nc(-c4ccc(Cl)cc4)cn3c2=O)cc(OC)c1O.
What is the InChIKey of (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is JLPMGOFESRTFLV-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H15ClN2O4S/c1-26-15-7-11(8-16(27-2)18(15)24)9-17-19(25)23-10-14(22-20(23)28-17)12-3-5-13(21)6-4-12/h3-10,24H,1-2H3/b17-9-.
What are the key properties of (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 414.87 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-(4-chlorophenyl)-2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 73296378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).