(2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one

C23H18ClN5O3S — CID 121367235

IUPAC(2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCCOc1cc(/C=c2\sc3nc(-c4ccc(-n5cnc(C)c5)nc4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C23H18ClN5O3S/c1-3-32-18-7-14(6-16(24)21(18)30)8-19-22(31)29-11-17(27-23(29)33-19)15-4-5-20(25-9-15)28-10-13(2)26-12-28/h4-12,30H,3H2,1-2H3/b19-8-
InChIKeyOISNAKBCKHHDHJ-UWVJOHFNSA-N
MW479.95 g/mol
LogP3.62
Rot. Bonds5

About (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one

(2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 121367235) has the molecular formula C23H18ClN5O3S and a molecular weight of 479.95 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one
PubChem CID121367235
Molecular FormulaC23H18ClN5O3S
Molecular Weight479.95 g/mol
Exact Mass479.08
IUPAC Name(2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one
SMILESCCOc1cc(/C=c2\sc3nc(-c4ccc(-n5cnc(C)c5)nc4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C23H18ClN5O3S/c1-3-32-18-7-14(6-16(24)21(18)30)8-19-22(31)29-11-17(27-23(29)33-19)15-4-5-20(25-9-15)28-10-13(2)26-12-28/h4-12,30H,3H2,1-2H3/b19-8-
InChIKeyOISNAKBCKHHDHJ-UWVJOHFNSA-N
XLogP3.62
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one (CID 121367235) is (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one is CCOc1cc(/C=c2\sc3nc(-c4ccc(-n5cnc(C)c5)nc4)cn3c2=O)cc(Cl)c1O.
What is the InChIKey of (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is OISNAKBCKHHDHJ-UWVJOHFNSA-N. The full InChI is InChI=1S/C23H18ClN5O3S/c1-3-32-18-7-14(6-16(24)21(18)30)8-19-22(31)29-11-17(27-23(29)33-19)15-4-5-20(25-9-15)28-10-13(2)26-12-28/h4-12,30H,3H2,1-2H3/b19-8-.
What are the key properties of (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 479.95 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6-[6-(4-methylimidazol-1-yl)-3-pyridinyl]imidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 121367235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).