2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione

C19H10FNO2S — CID 17467522

IUPAC2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2csc(-c3ccc(F)cc3)n2)C(=O)c2ccccc21
InChIInChI=1S/C19H10FNO2S/c20-12-7-5-11(6-8-12)19-21-13(10-24-19)9-16-17(22)14-3-1-2-4-15(14)18(16)23/h1-10H
InChIKeyAKIDDKAUDURXNX-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.41
Rot. Bonds2

About 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione

2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione (PubChem CID 17467522) has the molecular formula C19H10FNO2S and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione
PubChem CID17467522
Molecular FormulaC19H10FNO2S
Molecular Weight335.36 g/mol
Exact Mass335.04
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione
SMILESO=C1C(=Cc2csc(-c3ccc(F)cc3)n2)C(=O)c2ccccc21
InChIInChI=1S/C19H10FNO2S/c20-12-7-5-11(6-8-12)19-21-13(10-24-19)9-16-17(22)14-3-1-2-4-15(14)18(16)23/h1-10H
InChIKeyAKIDDKAUDURXNX-UHFFFAOYSA-N
XLogP4.41
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione (CID 17467522) is 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione is O=C1C(=Cc2csc(-c3ccc(F)cc3)n2)C(=O)c2ccccc21.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione?
The InChIKey is AKIDDKAUDURXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FNO2S/c20-12-7-5-11(6-8-12)19-21-13(10-24-19)9-16-17(22)14-3-1-2-4-15(14)18(16)23/h1-10H.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione?
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione has a molecular weight of 335.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylidene]indene-1,3-dione is sourced from PubChem (CID 17467522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).