(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C20H12ClN3O2S — CID 6518718

IUPAC(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C20H12ClN3O2S/c21-15-6-3-5-14(10-15)18-22-20-24(23-18)19(25)17(27-20)9-12-8-13-4-1-2-7-16(13)26-11-12/h1-10H,11H2/b17-9-
InChIKeyHCNAKHQQOQNHRK-MFOYZWKCSA-N
MW393.86 g/mol
LogP3.45
Rot. Bonds2

About (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 6518718) has the molecular formula C20H12ClN3O2S and a molecular weight of 393.86 g/mol. Its IUPAC name is (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID6518718
Molecular FormulaC20H12ClN3O2S
Molecular Weight393.86 g/mol
Exact Mass393.03
IUPAC Name(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESO=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C20H12ClN3O2S/c21-15-6-3-5-14(10-15)18-22-20-24(23-18)19(25)17(27-20)9-12-8-13-4-1-2-7-16(13)26-11-12/h1-10H,11H2/b17-9-
InChIKeyHCNAKHQQOQNHRK-MFOYZWKCSA-N
XLogP3.45
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.86
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2H-chromen-3-ylmethylidene)-2-(3,4-dimethoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3555899
(5E)-5-[(2-chlorophenyl)methylidene]-2-[3-[(5E)-5-[(2-chlorophenyl)methylidene]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10326254
2-(3-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3721538
(5Z)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(4-fluorophenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 34313921
(5Z)-5-(2H-chromen-3-ylmethylidene)-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 18838101
(5Z)-2-(3-chlorophenyl)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2001481
5-(2H-chromen-3-ylmethylidene)-2-[2-(4-methoxyphenyl)ethenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3385676
(5Z)-2-(4-tert-butylphenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6124973
(5E)-2-(3-chlorophenyl)-5-[(3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2142893
(5Z)-2-(4-bromophenyl)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6527397
(5E)-5-benzylidene-2-[3-[(5E)-5-benzylidene-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 10007247
(5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19260562

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 6518718) is (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is O=c1/c(=C/C2=Cc3ccccc3OC2)sc2nc(-c3cccc(Cl)c3)nn12.
What is the InChIKey of (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is HCNAKHQQOQNHRK-MFOYZWKCSA-N. The full InChI is InChI=1S/C20H12ClN3O2S/c21-15-6-3-5-14(10-15)18-22-20-24(23-18)19(25)17(27-20)9-12-8-13-4-1-2-7-16(13)26-11-12/h1-10H,11H2/b17-9-.
What are the key properties of (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 393.86 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(3-chlorophenyl)-5-(2H-chromen-3-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 6518718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).