2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole

C20H22N2OS — CID 54183206

IUPAC2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole
SMILESCCOc1ccc(CCc2ccc(-c3nnc(CC)s3)cc2)cc1
InChIInChI=1S/C20H22N2OS/c1-3-19-21-22-20(24-19)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)23-4-2/h7-14H,3-6H2,1-2H3
InChIKeyPDIAWIOVHFEJAH-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.95
Rot. Bonds7

About 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole

2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole (PubChem CID 54183206) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole
PubChem CID54183206
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole
SMILESCCOc1ccc(CCc2ccc(-c3nnc(CC)s3)cc2)cc1
InChIInChI=1S/C20H22N2OS/c1-3-19-21-22-20(24-19)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)23-4-2/h7-14H,3-6H2,1-2H3
InChIKeyPDIAWIOVHFEJAH-UHFFFAOYSA-N
XLogP4.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[4-[(E)-pent-2-enoxy]phenyl]-1,3,4-thiadiazole
CID 23432090
5-[4-(4-ethoxyphenyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 22713200
2-(4-decoxyphenyl)-5-hexyl-1,3,4-thiadiazole
CID 18997761
2-(4-decoxyphenyl)-5-pentyl-1,3,4-thiadiazole
CID 18997783
2-(4-decoxyphenyl)-5-octyl-1,3,4-thiadiazole
CID 56978549
2-[4-(4-octoxyphenyl)phenyl]-5-pentyl-1,3,4-thiadiazole
CID 14418890
2-butyl-5-(4-ethylphenyl)-1,3,4-thiadiazole
CID 19880000
[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 82360100
2-[4-[(E)-hex-2-enoxy]phenyl]-5-propyl-1,3,4-thiadiazole
CID 23432245
2-[4-(4-hept-2-enoxyphenyl)phenyl]-5-pentyl-1,3,4-thiadiazole
CID 54061444
[5-[4-(2-methoxyethoxy)phenyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 98017803
3-[5-(4-ethylphenyl)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 82133268

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole (CID 54183206) is 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole is CCOc1ccc(CCc2ccc(-c3nnc(CC)s3)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole?
The InChIKey is PDIAWIOVHFEJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-3-19-21-22-20(24-19)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)23-4-2/h7-14H,3-6H2,1-2H3.
What are the key properties of 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole?
2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole has a molecular weight of 338.48 g/mol, XLogP of 4.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethoxyphenyl)ethyl]phenyl]-5-ethyl-1,3,4-thiadiazole is sourced from PubChem (CID 54183206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).