4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole

C19H20N2O2S — CID 69306097

IUPAC4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole
SMILESCCOCCCOc1ccc(-c2ccc(-c3csnn3)cc2)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-22-12-3-13-23-18-10-8-16(9-11-18)15-4-6-17(7-5-15)19-14-24-21-20-19/h4-11,14H,2-3,12-13H2,1H3
InChIKeyFZLDERMBTQWOQD-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.68
Rot. Bonds8

About 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole

4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole (PubChem CID 69306097) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole.

Molecular Properties

Compound Name4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole
PubChem CID69306097
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole
SMILESCCOCCCOc1ccc(-c2ccc(-c3csnn3)cc2)cc1
InChIInChI=1S/C19H20N2O2S/c1-2-22-12-3-13-23-18-10-8-16(9-11-18)15-4-6-17(7-5-15)19-14-24-21-20-19/h4-11,14H,2-3,12-13H2,1H3
InChIKeyFZLDERMBTQWOQD-UHFFFAOYSA-N
XLogP4.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-Phenylmethoxyphenyl)thiadiazole
CID 849400
1-[4-(1,2,3-Thiadiazol-4-yl)phenoxy]acetone
CID 2739394
4-(1,2,3-Thiadiazol-4-yl)phenyl acetate
CID 2740820
4-(4-Methoxyphenyl)-1,2,3-thiadiazole
CID 2739349
1,2,3-Thiadiazole, 4,5-bis(4-methoxyphenyl)-
CID 10518184
4-(4-Methoxyphenyl)-5-phenyl-1,2,3-thiadiazole
CID 13427179
5-(4-Methoxyphenyl)-4-phenyl-1,2,3-thiadiazole
CID 13427180
4-[4-[(4-Chlorophenoxy)methyl]phenyl]thiadiazole
CID 2739152
[4-(Thiadiazol-4-yl)phenyl] 2,2-dimethylpropanoate
CID 2739374
4-(2-Methoxyphenyl)-1,2,3-thiadiazole
CID 5325803
4-(2-Fluoro-4-methoxyphenyl)-1,2,3-thiadiazole
CID 153639062
4-[4-(Oxiran-2-ylmethoxy)phenyl]-1,2,3-thiadiazole
CID 2737103

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole?
The IUPAC name of 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole (CID 69306097) is 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole.
What is the SMILES notation for 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole?
The canonical SMILES for 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole is CCOCCCOc1ccc(-c2ccc(-c3csnn3)cc2)cc1.
What is the InChIKey of 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole?
The InChIKey is FZLDERMBTQWOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-22-12-3-13-23-18-10-8-16(9-11-18)15-4-6-17(7-5-15)19-14-24-21-20-19/h4-11,14H,2-3,12-13H2,1H3.
What are the key properties of 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole?
4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole has a molecular weight of 340.45 g/mol, XLogP of 4.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3-ethoxypropoxy)phenyl]phenyl]thiadiazole is sourced from PubChem (CID 69306097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).