2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole

C22H14N2O2S — CID 122206225

IUPAC2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole
SMILESc1cc(-c2ccc(-c3nnc(-c4ccc(-c5ccoc5)cc4)s3)cc2)co1
InChIInChI=1S/C22H14N2O2S/c1-5-17(6-2-15(1)19-9-11-25-13-19)21-23-24-22(27-21)18-7-3-16(4-8-18)20-10-12-26-14-20/h1-14H
InChIKeyMLBIPFHZROELEE-UHFFFAOYSA-N
MW370.43 g/mol
LogP6.39
Rot. Bonds4

About 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole

2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole (PubChem CID 122206225) has the molecular formula C22H14N2O2S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole
PubChem CID122206225
Molecular FormulaC22H14N2O2S
Molecular Weight370.43 g/mol
Exact Mass370.08
IUPAC Name2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole
SMILESc1cc(-c2ccc(-c3nnc(-c4ccc(-c5ccoc5)cc4)s3)cc2)co1
InChIInChI=1S/C22H14N2O2S/c1-5-17(6-2-15(1)19-9-11-25-13-19)21-23-24-22(27-21)18-7-3-16(4-8-18)20-10-12-26-14-20/h1-14H
InChIKeyMLBIPFHZROELEE-UHFFFAOYSA-N
XLogP6.39
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(furan-3-yl)-1,3,4-thiadiazole
CID 10171592
2-methyl-5-[4-(4-methylphenyl)phenyl]-1,3,4-thiadiazole
CID 22899617
2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
4-[4-(furan-3-yl)phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 58910744
2-fluoro-4-(furan-3-yl)aniline
CID 63949951
N-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]-2,6-dimethoxybenzamide
CID 12881517
4-[5-(4-carboxyphenyl)-1,3,4-thiadiazol-2-yl]benzoic acid
CID 13351514
1-[4-(furan-3-yl)phenyl]-N-methylethanamine
CID 63949145
1-[4-[4-(furan-3-yl)phenoxy]-1H-triazol-5-yl]ethanone
CID 163412338

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole (CID 122206225) is 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole is c1cc(-c2ccc(-c3nnc(-c4ccc(-c5ccoc5)cc4)s3)cc2)co1.
What is the InChIKey of 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole?
The InChIKey is MLBIPFHZROELEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2S/c1-5-17(6-2-15(1)19-9-11-25-13-19)21-23-24-22(27-21)18-7-3-16(4-8-18)20-10-12-26-14-20/h1-14H.
What are the key properties of 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole?
2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole has a molecular weight of 370.43 g/mol, XLogP of 6.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(furan-3-yl)phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 122206225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).