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

C16H10ClN3O2S — CID 701696

IUPAC(6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)o1
InChIInChI=1S/C16H10ClN3O2S/c1-9-6-7-10(22-9)8-13-15(21)20-14(18-19-16(20)23-13)11-4-2-3-5-12(11)17/h2-8H,1H3/b13-8+
InChIKeyZNWOMYOAOGOZGQ-MDWZMJQESA-N
MW343.80 g/mol
LogP2.92
Rot. Bonds2

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

(6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 701696) has the molecular formula C16H10ClN3O2S and a molecular weight of 343.80 g/mol. Its IUPAC name is (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID701696
Molecular FormulaC16H10ClN3O2S
Molecular Weight343.80 g/mol
Exact Mass343.02
IUPAC Name(6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)o1
InChIInChI=1S/C16H10ClN3O2S/c1-9-6-7-10(22-9)8-13-15(21)20-14(18-19-16(20)23-13)11-4-2-3-5-12(11)17/h2-8H,1H3/b13-8+
InChIKeyZNWOMYOAOGOZGQ-MDWZMJQESA-N
XLogP2.92
TPSA60.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.80
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 701696) is (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is Cc1ccc(/C=c2/sc3nnc(-c4ccccc4Cl)n3c2=O)o1.
What is the InChIKey of (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is ZNWOMYOAOGOZGQ-MDWZMJQESA-N. The full InChI is InChI=1S/C16H10ClN3O2S/c1-9-6-7-10(22-9)8-13-15(21)20-14(18-19-16(20)23-13)11-4-2-3-5-12(11)17/h2-8H,1H3/b13-8+.
What are the key properties of (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one has a molecular weight of 343.80 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3-(2-chlorophenyl)-6-[(5-methylfuran-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 701696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).