(5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C18H11Cl2N3O2S — CID 1335038

IUPAC(5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1
InChIInChI=1S/C18H11Cl2N3O2S/c1-25-12-5-2-10(3-6-12)8-15-17(24)23-18(26-15)21-16(22-23)13-7-4-11(19)9-14(13)20/h2-9H,1H3/b15-8-
InChIKeyASCJGGUKPHSQIS-NVNXTCNLSA-N
MW404.28 g/mol
LogP3.68
Rot. Bonds3

About (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 1335038) has the molecular formula C18H11Cl2N3O2S and a molecular weight of 404.28 g/mol. Its IUPAC name is (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID1335038
Molecular FormulaC18H11Cl2N3O2S
Molecular Weight404.28 g/mol
Exact Mass402.99
IUPAC Name(5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCOc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1
InChIInChI=1S/C18H11Cl2N3O2S/c1-25-12-5-2-10(3-6-12)8-15-17(24)23-18(26-15)21-16(22-23)13-7-4-11(19)9-14(13)20/h2-9H,1H3/b15-8-
InChIKeyASCJGGUKPHSQIS-NVNXTCNLSA-N
XLogP3.68
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 1335038) is (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is COc1ccc(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)cc1.
What is the InChIKey of (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is ASCJGGUKPHSQIS-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H11Cl2N3O2S/c1-25-12-5-2-10(3-6-12)8-15-17(24)23-18(26-15)21-16(22-23)13-7-4-11(19)9-14(13)20/h2-9H,1H3/b15-8-.
What are the key properties of (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 404.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 1335038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).