(3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one

C16H11NOS2 — CID 167806683

IUPAC(3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one
SMILESO=C1/C(=C\c2cncs2)CCc2c1sc1ccccc21
InChIInChI=1S/C16H11NOS2/c18-15-10(7-11-8-17-9-19-11)5-6-13-12-3-1-2-4-14(12)20-16(13)15/h1-4,7-9H,5-6H2/b10-7-
InChIKeyFSDFEQHITZTGRS-YFHOEESVSA-N
MW297.40 g/mol
LogP4.57
Rot. Bonds1

About (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one

(3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one (PubChem CID 167806683) has the molecular formula C16H11NOS2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one.

Molecular Properties

Compound Name(3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one
PubChem CID167806683
Molecular FormulaC16H11NOS2
Molecular Weight297.40 g/mol
Exact Mass297.03
IUPAC Name(3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one
SMILESO=C1/C(=C\c2cncs2)CCc2c1sc1ccccc21
InChIInChI=1S/C16H11NOS2/c18-15-10(7-11-8-17-9-19-11)5-6-13-12-3-1-2-4-14(12)20-16(13)15/h1-4,7-9H,5-6H2/b10-7-
InChIKeyFSDFEQHITZTGRS-YFHOEESVSA-N
XLogP4.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one?
The IUPAC name of (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one (CID 167806683) is (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one.
What is the SMILES notation for (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one?
The canonical SMILES for (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one is O=C1/C(=C\c2cncs2)CCc2c1sc1ccccc21.
What is the InChIKey of (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one?
The InChIKey is FSDFEQHITZTGRS-YFHOEESVSA-N. The full InChI is InChI=1S/C16H11NOS2/c18-15-10(7-11-8-17-9-19-11)5-6-13-12-3-1-2-4-14(12)20-16(13)15/h1-4,7-9H,5-6H2/b10-7-.
What are the key properties of (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one?
(3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one has a molecular weight of 297.40 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1,3-thiazol-5-ylmethylidene)-1,2-dihydrodibenzothiophen-4-one is sourced from PubChem (CID 167806683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).