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

C18H11Cl2N3OS — CID 6292481

IUPAC(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccccc1-c1nnc2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n12
InChIInChI=1S/C18H11Cl2N3OS/c1-10-4-2-3-5-13(10)16-21-22-18-23(16)17(24)15(25-18)8-11-6-7-12(19)9-14(11)20/h2-9H,1H3/b15-8-
InChIKeyYZDBHKHNLMMCQC-NVNXTCNLSA-N
MW388.28 g/mol
LogP3.98
Rot. Bonds2

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

(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 6292481) has the molecular formula C18H11Cl2N3OS and a molecular weight of 388.28 g/mol. Its IUPAC name is (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID6292481
Molecular FormulaC18H11Cl2N3OS
Molecular Weight388.28 g/mol
Exact Mass387.00
IUPAC Name(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccccc1-c1nnc2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n12
InChIInChI=1S/C18H11Cl2N3OS/c1-10-4-2-3-5-13(10)16-21-22-18-23(16)17(24)15(25-18)8-11-6-7-12(19)9-14(11)20/h2-9H,1H3/b15-8-
InChIKeyYZDBHKHNLMMCQC-NVNXTCNLSA-N
XLogP3.98
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 6292481) is (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is Cc1ccccc1-c1nnc2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n12.
What is the InChIKey of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is YZDBHKHNLMMCQC-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H11Cl2N3OS/c1-10-4-2-3-5-13(10)16-21-22-18-23(16)17(24)15(25-18)8-11-6-7-12(19)9-14(11)20/h2-9H,1H3/b15-8-.
What are the key properties of (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 388.28 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(2,4-dichlorophenyl)methylidene]-3-(2-methylphenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 6292481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).