(2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one

C19H15ClN2O3S2 — CID 90040324

IUPAC(2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCCCOc1cc(/C=c2\sc3nc(-c4cccs4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C19H15ClN2O3S2/c1-2-5-25-14-8-11(7-12(20)17(14)23)9-16-18(24)22-10-13(21-19(22)27-16)15-4-3-6-26-15/h3-4,6-10,23H,2,5H2,1H3/b16-9-
InChIKeyGTIQGOSQXHWQFS-SXGWCWSVSA-N
MW418.93 g/mol
LogP4.18
Rot. Bonds5

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

(2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one (PubChem CID 90040324) has the molecular formula C19H15ClN2O3S2 and a molecular weight of 418.93 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one
PubChem CID90040324
Molecular FormulaC19H15ClN2O3S2
Molecular Weight418.93 g/mol
Exact Mass418.02
IUPAC Name(2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one
SMILESCCCOc1cc(/C=c2\sc3nc(-c4cccs4)cn3c2=O)cc(Cl)c1O
InChIInChI=1S/C19H15ClN2O3S2/c1-2-5-25-14-8-11(7-12(20)17(14)23)9-16-18(24)22-10-13(21-19(22)27-16)15-4-3-6-26-15/h3-4,6-10,23H,2,5H2,1H3/b16-9-
InChIKeyGTIQGOSQXHWQFS-SXGWCWSVSA-N
XLogP4.18
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one (CID 90040324) is (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one is CCCOc1cc(/C=c2\sc3nc(-c4cccs4)cn3c2=O)cc(Cl)c1O.
What is the InChIKey of (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one?
The InChIKey is GTIQGOSQXHWQFS-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H15ClN2O3S2/c1-2-5-25-14-8-11(7-12(20)17(14)23)9-16-18(24)22-10-13(21-19(22)27-16)15-4-3-6-26-15/h3-4,6-10,23H,2,5H2,1H3/b16-9-.
What are the key properties of (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one?
(2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one has a molecular weight of 418.93 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chloro-4-hydroxy-5-propoxyphenyl)methylidene]-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 90040324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).