2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

C18H10F3NS3 — CID 2741010

IUPAC2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1
InChIInChI=1S/C18H10F3NS3/c19-18(20,21)12-5-3-11(4-6-12)13-10-24-17(22-13)16-8-7-15(25-16)14-2-1-9-23-14/h1-10H
InChIKeySXUSVRXWVQDNLD-UHFFFAOYSA-N
MW393.48 g/mol
LogP7.29
Rot. Bonds3

About 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole

2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 2741010) has the molecular formula C18H10F3NS3 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID2741010
Molecular FormulaC18H10F3NS3
Molecular Weight393.48 g/mol
Exact Mass392.99
IUPAC Name2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESFC(F)(F)c1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1
InChIInChI=1S/C18H10F3NS3/c19-18(20,21)12-5-3-11(4-6-12)13-10-24-17(22-13)16-8-7-15(25-16)14-2-1-9-23-14/h1-10H
InChIKeySXUSVRXWVQDNLD-UHFFFAOYSA-N
XLogP7.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 11726073
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
3-[2-(5-thiophen-2-ylthiophen-2-yl)-1,3-thiazol-4-yl]-1H-quinolin-2-one
CID 22638521
2-thiophen-2-yl-5-[6-(5-thiophen-2-ylthiophen-2-yl)anthracen-2-yl]thiophene
CID 23596942
3-(5-thiophen-2-ylthiophen-2-yl)-1,2-oxazole
CID 2739851
2-pyridin-4-yl-4-thiophen-2-yl-1,3-thiazole
CID 100596517
4-thiophen-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 116967666
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 23143279
4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 62501709
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
carbon dioxide;4-[3-(4-fluorophenyl)phenyl]-2-thiophen-2-yl-1,3-thiazole
CID 159419387
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,3,4-thiadiazol-2-amine
CID 108772112

Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole (CID 2741010) is 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is FC(F)(F)c1ccc(-c2csc(-c3ccc(-c4cccs4)s3)n2)cc1.
What is the InChIKey of 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is SXUSVRXWVQDNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NS3/c19-18(20,21)12-5-3-11(4-6-12)13-10-24-17(22-13)16-8-7-15(25-16)14-2-1-9-23-14/h1-10H.
What are the key properties of 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 393.48 g/mol, XLogP of 7.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-ylthiophen-2-yl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 2741010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).