4,5-bis(4-methoxyphenyl)thiadiazole

C16H14N2O2S — CID 10518184

IUPAC4,5-bis(4-methoxyphenyl)thiadiazole
SMILESCOc1ccc(-c2nnsc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14N2O2S/c1-19-13-7-3-11(4-8-13)15-16(21-18-17-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKeyLCNSXZJIADUFLI-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

About 4,5-bis(4-methoxyphenyl)thiadiazole

4,5-bis(4-methoxyphenyl)thiadiazole (PubChem CID 10518184) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4,5-bis(4-methoxyphenyl)thiadiazole.

Molecular Properties

Compound Name4,5-bis(4-methoxyphenyl)thiadiazole
PubChem CID10518184
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4,5-bis(4-methoxyphenyl)thiadiazole
SMILESCOc1ccc(-c2nnsc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C16H14N2O2S/c1-19-13-7-3-11(4-8-13)15-16(21-18-17-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKeyLCNSXZJIADUFLI-UHFFFAOYSA-N
XLogP3.89
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(4-Ethoxyphenyl)-1,2,3-Thiadiazol-4-Yl]-6-Ethylbenzene-1,3-Diol
CID 44590709
4-(4-Phenylmethoxyphenyl)thiadiazole
CID 849400
5-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole
CID 16721103
5-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole
CID 44431224
4-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)thiadiazole
CID 44431229
4-(4-Methoxyphenyl)-1,2,3-thiadiazole
CID 2739349
4-(4-Methoxyphenyl)-1,2,3-thiadiazol-5-amine
CID 2779743
5-(4-Fluorophenyl)-4-(3,4,5-trimethoxyphenyl)thiadiazole
CID 44431226
4-(3,4-Dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)thiadiazole
CID 44431230
4-(4-Fluorophenyl)-5-(3,4,5-trimethoxyphenyl)thiadiazole
CID 44431235
4-(4-Methoxyphenyl)-5-phenyl-1,2,3-thiadiazole
CID 13427179
5-(4-Methoxyphenyl)-4-phenyl-1,2,3-thiadiazole
CID 13427180

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methoxyphenyl)thiadiazole?
The IUPAC name of 4,5-bis(4-methoxyphenyl)thiadiazole (CID 10518184) is 4,5-bis(4-methoxyphenyl)thiadiazole.
What is the SMILES notation for 4,5-bis(4-methoxyphenyl)thiadiazole?
The canonical SMILES for 4,5-bis(4-methoxyphenyl)thiadiazole is COc1ccc(-c2nnsc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methoxyphenyl)thiadiazole?
The InChIKey is LCNSXZJIADUFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-13-7-3-11(4-8-13)15-16(21-18-17-15)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3.
What are the key properties of 4,5-bis(4-methoxyphenyl)thiadiazole?
4,5-bis(4-methoxyphenyl)thiadiazole has a molecular weight of 298.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methoxyphenyl)thiadiazole is sourced from PubChem (CID 10518184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).