carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole

C20H12FNO2S2 — CID 159419387

IUPACcarbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole
SMILESFc1ccc(-c2cccc(-c3csc(-c4cccs4)n3)c2)cc1.O=C=O
InChIInChI=1S/C19H12FNS2.CO2/c20-16-8-6-13(7-9-16)14-3-1-4-15(11-14)17-12-23-19(21-17)18-5-2-10-22-18;2-1-3/h1-12H;
InChIKeyLPOLQVWSVQUKEA-UHFFFAOYSA-N
MW381.45 g/mol
LogP5.76
Rot. Bonds3

About carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole

carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole (PubChem CID 159419387) has the molecular formula C20H12FNO2S2 and a molecular weight of 381.45 g/mol. Its IUPAC name is carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Namecarbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole
PubChem CID159419387
Molecular FormulaC20H12FNO2S2
Molecular Weight381.45 g/mol
Exact Mass381.03
IUPAC Namecarbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole
SMILESFc1ccc(-c2cccc(-c3csc(-c4cccs4)n3)c2)cc1.O=C=O
InChIInChI=1S/C19H12FNS2.CO2/c20-16-8-6-13(7-9-16)14-3-1-4-15(11-14)17-12-23-19(21-17)18-5-2-10-22-18;2-1-3/h1-12H;
InChIKeyLPOLQVWSVQUKEA-UHFFFAOYSA-N
XLogP5.76
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.45
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole?
The IUPAC name of carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole (CID 159419387) is carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole is Fc1ccc(-c2cccc(-c3csc(-c4cccs4)n3)c2)cc1.O=C=O.
What is the InChIKey of carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole?
The InChIKey is LPOLQVWSVQUKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FNS2.CO2/c20-16-8-6-13(7-9-16)14-3-1-4-15(11-14)17-12-23-19(21-17)18-5-2-10-22-18;2-1-3/h1-12H;.
What are the key properties of carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole?
carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole has a molecular weight of 381.45 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 159419387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).