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

C16H10ClN3OS2 — CID 7316147

IUPAC(6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccsc1/C=c1\sc2nnc(-c3ccccc3Cl)n2c1=O
InChIInChI=1S/C16H10ClN3OS2/c1-9-6-7-22-12(9)8-13-15(21)20-14(18-19-16(20)23-13)10-4-2-3-5-11(10)17/h2-8H,1H3/b13-8-
InChIKeyNXGBMXZNHBPBDR-JYRVWZFOSA-N
MW359.86 g/mol
LogP3.39
Rot. Bonds2

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

(6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (PubChem CID 7316147) has the molecular formula C16H10ClN3OS2 and a molecular weight of 359.86 g/mol. Its IUPAC name is (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.

Molecular Properties

Compound Name(6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
PubChem CID7316147
Molecular FormulaC16H10ClN3OS2
Molecular Weight359.86 g/mol
Exact Mass359.00
IUPAC Name(6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
SMILESCc1ccsc1/C=c1\sc2nnc(-c3ccccc3Cl)n2c1=O
InChIInChI=1S/C16H10ClN3OS2/c1-9-6-7-22-12(9)8-13-15(21)20-14(18-19-16(20)23-13)10-4-2-3-5-11(10)17/h2-8H,1H3/b13-8-
InChIKeyNXGBMXZNHBPBDR-JYRVWZFOSA-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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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The IUPAC name of (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one (CID 7316147) is (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one.
What is the SMILES notation for (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The canonical SMILES for (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is Cc1ccsc1/C=c1\sc2nnc(-c3ccccc3Cl)n2c1=O.
What is the InChIKey of (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
The InChIKey is NXGBMXZNHBPBDR-JYRVWZFOSA-N. The full InChI is InChI=1S/C16H10ClN3OS2/c1-9-6-7-22-12(9)8-13-15(21)20-14(18-19-16(20)23-13)10-4-2-3-5-11(10)17/h2-8H,1H3/b13-8-.
What are the key properties of (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one?
(6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-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 (6Z)-3-(2-chlorophenyl)-6-[(3-methylthiophen-2-yl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is sourced from PubChem (CID 7316147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).