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

C12H8ClN3OS — CID 5420523

IUPAC(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1nnc2s/c(=C\c3ccc(Cl)cc3)c(=O)n12
InChIInChI=1S/C12H8ClN3OS/c1-7-14-15-12-16(7)11(17)10(18-12)6-8-2-4-9(13)5-3-8/h2-6H,1H3/b10-6-
InChIKeyPQRFAPQZLRJIAG-POHAHGRESA-N
MW277.74 g/mol
LogP1.66
Rot. Bonds1

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

(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 5420523) has the molecular formula C12H8ClN3OS and a molecular weight of 277.74 g/mol. Its IUPAC name is (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID5420523
Molecular FormulaC12H8ClN3OS
Molecular Weight277.74 g/mol
Exact Mass277.01
IUPAC Name(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1nnc2s/c(=C\c3ccc(Cl)cc3)c(=O)n12
InChIInChI=1S/C12H8ClN3OS/c1-7-14-15-12-16(7)11(17)10(18-12)6-8-2-4-9(13)5-3-8/h2-6H,1H3/b10-6-
InChIKeyPQRFAPQZLRJIAG-POHAHGRESA-N
XLogP1.66
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 5420523) is (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is Cc1nnc2s/c(=C\c3ccc(Cl)cc3)c(=O)n12.
What is the InChIKey of (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is PQRFAPQZLRJIAG-POHAHGRESA-N. The full InChI is InChI=1S/C12H8ClN3OS/c1-7-14-15-12-16(7)11(17)10(18-12)6-8-2-4-9(13)5-3-8/h2-6H,1H3/b10-6-.
What are the key properties of (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 277.74 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-[(4-chlorophenyl)methylidene]-3-methyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 5420523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).