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

C26H15F3N2S4 — CID 170274913

IUPAC2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCc1ccc(-c2ccc(-c3nc4sc(-c5ccc(-c6ccc(C(F)(F)F)cc6)s5)nc4s3)s2)cc1
InChIInChI=1S/C26H15F3N2S4/c1-14-2-4-15(5-3-14)18-10-12-20(32-18)22-30-24-25(34-22)31-23(35-24)21-13-11-19(33-21)16-6-8-17(9-7-16)26(27,28)29/h2-13H,1H3
InChIKeyPADVBNFEAKZBBU-UHFFFAOYSA-N
MW540.68 g/mol
LogP9.87
Rot. Bonds4

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

2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (PubChem CID 170274913) has the molecular formula C26H15F3N2S4 and a molecular weight of 540.68 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
PubChem CID170274913
Molecular FormulaC26H15F3N2S4
Molecular Weight540.68 g/mol
Exact Mass540.01
IUPAC Name2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
SMILESCc1ccc(-c2ccc(-c3nc4sc(-c5ccc(-c6ccc(C(F)(F)F)cc6)s5)nc4s3)s2)cc1
InChIInChI=1S/C26H15F3N2S4/c1-14-2-4-15(5-3-14)18-10-12-20(32-18)22-30-24-25(34-22)31-23(35-24)21-13-11-19(33-21)16-6-8-17(9-7-16)26(27,28)29/h2-13H,1H3
InChIKeyPADVBNFEAKZBBU-UHFFFAOYSA-N
XLogP9.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.68
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The IUPAC name of 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole (CID 170274913) is 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole.
What is the SMILES notation for 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The canonical SMILES for 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is Cc1ccc(-c2ccc(-c3nc4sc(-c5ccc(-c6ccc(C(F)(F)F)cc6)s5)nc4s3)s2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
The InChIKey is PADVBNFEAKZBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F3N2S4/c1-14-2-4-15(5-3-14)18-10-12-20(32-18)22-30-24-25(34-22)31-23(35-24)21-13-11-19(33-21)16-6-8-17(9-7-16)26(27,28)29/h2-13H,1H3.
What are the key properties of 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole?
2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole has a molecular weight of 540.68 g/mol, XLogP of 9.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)thiophen-2-yl]-5-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole is sourced from PubChem (CID 170274913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).