(5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C16H10ClN3OS2 — CID 6383705

IUPAC(5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccsc1/C=c1/sc2nc(-c3ccc(Cl)cc3)nn2c1=O
InChIInChI=1S/C16H10ClN3OS2/c1-9-6-7-22-12(9)8-13-15(21)20-16(23-13)18-14(19-20)10-2-4-11(17)5-3-10/h2-8H,1H3/b13-8+
InChIKeyBPLJOTPIJRQQTK-MDWZMJQESA-N
MW359.86 g/mol
LogP3.39
Rot. Bonds2

About (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 6383705) has the molecular formula C16H10ClN3OS2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID6383705
Molecular FormulaC16H10ClN3OS2
Molecular Weight359.86 g/mol
Exact Mass359.00
IUPAC Name(5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccsc1/C=c1/sc2nc(-c3ccc(Cl)cc3)nn2c1=O
InChIInChI=1S/C16H10ClN3OS2/c1-9-6-7-22-12(9)8-13-15(21)20-16(23-13)18-14(19-20)10-2-4-11(17)5-3-10/h2-8H,1H3/b13-8+
InChIKeyBPLJOTPIJRQQTK-MDWZMJQESA-N
XLogP3.39
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3-methylthiophen-2-yl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 4094129
2-(3-methylphenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 936372
2-(4-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3429749
(5Z)-2-(4-tert-butylphenyl)-5-[(4-chlorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6125209
2-(4-chlorophenyl)-5-[(4-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 3140321
(5Z)-2-(4-methylphenyl)-5-(thiophen-2-ylmethylidene)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2139191
(5E)-5-[(4-chlorophenyl)methylidene]-2-pyridin-4-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 699999
(5Z)-2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 6533210
5-[(4-chlorophenyl)methylidene]-2-(4-propan-2-yloxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2911081
[4-[(Z)-[2-(4-chlorophenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]phenyl] acetate
CID 6513739
5-[(2,4-dichlorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2874337
(5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 2188477

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 6383705) is (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccsc1/C=c1/sc2nc(-c3ccc(Cl)cc3)nn2c1=O.
What is the InChIKey of (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is BPLJOTPIJRQQTK-MDWZMJQESA-N. The full InChI is InChI=1S/C16H10ClN3OS2/c1-9-6-7-22-12(9)8-13-15(21)20-16(23-13)18-14(19-20)10-2-4-11(17)5-3-10/h2-8H,1H3/b13-8+.
What are the key properties of (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 359.86 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-chlorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 6383705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).