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

C12H7Cl2N3OS — CID 50852868

IUPAC(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1nc2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2n1
InChIInChI=1S/C12H7Cl2N3OS/c1-6-15-12-17(16-6)11(18)10(19-12)5-7-2-3-8(13)9(14)4-7/h2-5H,1H3/b10-5-
InChIKeyCGKSRQUZSPYGHG-YHYXMXQVSA-N
MW312.18 g/mol
LogP2.31
Rot. Bonds1

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

(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 50852868) has the molecular formula C12H7Cl2N3OS and a molecular weight of 312.18 g/mol. Its IUPAC name is (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID50852868
Molecular FormulaC12H7Cl2N3OS
Molecular Weight312.18 g/mol
Exact Mass310.97
IUPAC Name(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1nc2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2n1
InChIInChI=1S/C12H7Cl2N3OS/c1-6-15-12-17(16-6)11(18)10(19-12)5-7-2-3-8(13)9(14)4-7/h2-5H,1H3/b10-5-
InChIKeyCGKSRQUZSPYGHG-YHYXMXQVSA-N
XLogP2.31
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-[(E)-2-thiophen-2-ylethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34313133
2-(4-butoxyphenyl)-5-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2912685
(5Z)-2-methyl-5-(pyridin-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256146
2-[(3,4-dichlorophenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 4983811
(5Z)-2-methyl-5-[(3-phenylmethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19256152
6-[(3,4-dichlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 4264083
[4-chloro-2-[(Z)-(2-methyl-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]phenyl] acetate
CID 19256165
5-[(3-chlorophenyl)methylidene]-2-(2-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3741347
2-[(4-iodophenyl)methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
CID 5144174
(6Z)-3-(3-chlorophenyl)-6-[(3,4-dichlorophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
CID 6049577
(5Z)-2-(4-methylphenyl)-5-[(3-methylphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 50852897
(5Z)-2-(2,4-dichlorophenyl)-5-[(4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 1335038

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 50852868) is (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1nc2s/c(=C\c3ccc(Cl)c(Cl)c3)c(=O)n2n1.
What is the InChIKey of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is CGKSRQUZSPYGHG-YHYXMXQVSA-N. The full InChI is InChI=1S/C12H7Cl2N3OS/c1-6-15-12-17(16-6)11(18)10(19-12)5-7-2-3-8(13)9(14)4-7/h2-5H,1H3/b10-5-.
What are the key properties of (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 312.18 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3,4-dichlorophenyl)methylidene]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 50852868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).