(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

C15H10FNO2S2 — CID 1231450

IUPAC(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H10FNO2S2/c16-11-5-3-10(4-6-11)9-17-14(18)13(21-15(17)19)8-12-2-1-7-20-12/h1-8H,9H2/b13-8-
InChIKeyZAHGPYDHKRVXMS-JYRVWZFOSA-N
MW319.38 g/mol
LogP4.12
Rot. Bonds3

About (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione

(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1231450) has the molecular formula C15H10FNO2S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1231450
Molecular FormulaC15H10FNO2S2
Molecular Weight319.38 g/mol
Exact Mass319.01
IUPAC Name(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H10FNO2S2/c16-11-5-3-10(4-6-11)9-17-14(18)13(21-15(17)19)8-12-2-1-7-20-12/h1-8H,9H2/b13-8-
InChIKeyZAHGPYDHKRVXMS-JYRVWZFOSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione (CID 1231450) is (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2cccs2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is ZAHGPYDHKRVXMS-JYRVWZFOSA-N. The full InChI is InChI=1S/C15H10FNO2S2/c16-11-5-3-10(4-6-11)9-17-14(18)13(21-15(17)19)8-12-2-1-7-20-12/h1-8H,9H2/b13-8-.
What are the key properties of (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione?
(5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 319.38 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-[(4-fluorophenyl)methyl]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1231450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).