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

C13H11ClN2O3S — CID 140897114

IUPAC(2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3n(c2=O)CCN=3)c(Cl)cc1O
InChIInChI=1S/C13H11ClN2O3S/c1-19-10-4-7(8(14)6-9(10)17)5-11-12(18)16-3-2-15-13(16)20-11/h4-6,17H,2-3H2,1H3/b11-5-
InChIKeyPJZXPJWCKGBSJN-WZUFQYTHSA-N
MW310.76 g/mol
LogP0.74
Rot. Bonds2

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

(2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 140897114) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID140897114
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name(2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
SMILESCOc1cc(/C=c2\sc3n(c2=O)CCN=3)c(Cl)cc1O
InChIInChI=1S/C13H11ClN2O3S/c1-19-10-4-7(8(14)6-9(10)17)5-11-12(18)16-3-2-15-13(16)20-11/h4-6,17H,2-3H2,1H3/b11-5-
InChIKeyPJZXPJWCKGBSJN-WZUFQYTHSA-N
XLogP0.74
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one (CID 140897114) is (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is COc1cc(/C=c2\sc3n(c2=O)CCN=3)c(Cl)cc1O.
What is the InChIKey of (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is PJZXPJWCKGBSJN-WZUFQYTHSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-19-10-4-7(8(14)6-9(10)17)5-11-12(18)16-3-2-15-13(16)20-11/h4-6,17H,2-3H2,1H3/b11-5-.
What are the key properties of (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 310.76 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 140897114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).