(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one

C19H11ClF2N2O3S — CID 73295222

IUPAC(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4cc(F)cc(F)c4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C19H11ClF2N2O3S/c1-27-15-3-9(2-13(20)17(15)25)4-16-18(26)24-8-14(23-19(24)28-16)10-5-11(21)7-12(22)6-10/h2-8,25H,1H3/b16-4-
InChIKeyBZNRAEDPSHDFDJ-XRVIQIRUSA-N
MW420.82 g/mol
LogP3.62
Rot. Bonds3

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

(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 73295222) has the molecular formula C19H11ClF2N2O3S and a molecular weight of 420.82 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID73295222
Molecular FormulaC19H11ClF2N2O3S
Molecular Weight420.82 g/mol
Exact Mass420.01
IUPAC Name(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3nc(-c4cc(F)cc(F)c4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C19H11ClF2N2O3S/c1-27-15-3-9(2-13(20)17(15)25)4-16-18(26)24-8-14(23-19(24)28-16)10-5-11(21)7-12(22)6-10/h2-8,25H,1H3/b16-4-
InChIKeyBZNRAEDPSHDFDJ-XRVIQIRUSA-N
XLogP3.62
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one (CID 73295222) is (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one is COc1cc(/C=c2\sc3nc(-c4cc(F)cc(F)c4)cn3c2=O)cc(Cl)c1O.
What is the InChIKey of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is BZNRAEDPSHDFDJ-XRVIQIRUSA-N. The full InChI is InChI=1S/C19H11ClF2N2O3S/c1-27-15-3-9(2-13(20)17(15)25)4-16-18(26)24-8-14(23-19(24)28-16)10-5-11(21)7-12(22)6-10/h2-8,25H,1H3/b16-4-.
What are the key properties of (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 420.82 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-6-(3,5-difluorophenyl)imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 73295222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).