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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Related Compounds

6-(2-thiophen-2-yl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 7529130
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962
1-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)pyrrole-2-carboxylic acid
CID 16780129
4-[3-(4-fluoro-3-methylphenyl)phenyl]-2-phenyl-1,3-thiazole
CID 163760203
2-(1-benzothiophen-2-yl)-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole;nonakis(carbon dioxide);2-cyclopenta-1,4-dien-1-yl-4-[3-(4-fluorophenyl)phenyl]-1,3-thiazole;4-[3-(4-fluorophenyl)phenyl]-2-(furan-2-yl)-1,3-thiazole;4-[3-(4-fluorophenyl)phenyl]-2-(6-methyl-3-pyridinyl)-1,3-thiazole;4-[3-(2-fluorophenyl)phenyl]-2-methyl-1,3-thiazole;4-[3-(3-fluorophenyl)phenyl]-2-methyl-1,3-thiazole;4-[3-(4-fluorophenyl)phenyl]-2-methyl-1,3-thiazole;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole;2-methyl-4-[3-(4-methylphenyl)phenyl]-1,3-thiazole
CID 159153290
4-(4-fluorophenyl)-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 133372541
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108772112
2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 2741010
N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108779722
4-(4-fluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 592589
2-(3-fluorophenyl)-4-(3-nitrophenyl)-1,3-thiazole
CID 8964938

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).