3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole

C16H14N2O2S — CID 56837846

IUPAC3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole
SMILESCOc1cccc(-c2nsc(-c3cccc(OC)c3)n2)c1
InChIInChI=1S/C16H14N2O2S/c1-19-13-7-3-5-11(9-13)15-17-16(21-18-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
InChIKeyCWXKIXQVOVUDST-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.89
Rot. Bonds4

About 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole

3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole (PubChem CID 56837846) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole
PubChem CID56837846
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole
SMILESCOc1cccc(-c2nsc(-c3cccc(OC)c3)n2)c1
InChIInChI=1S/C16H14N2O2S/c1-19-13-7-3-5-11(9-13)15-17-16(21-18-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3
InChIKeyCWXKIXQVOVUDST-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

3-(3-(N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methylamino)propyloxy)-5-phenyl-1,2,4-thiadiazole
CID 10364418
3-[5-(3-Hydroxyphenyl)-1,2,4-thiadiazol-3-yl]phenol
CID 25093379
4-[5-(3-Hydroxyphenyl)-1,2,4-thiadiazol-3-yl]phenol
CID 135899489
3-(3-Methoxyphenyl)-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 663090
1-[3-(3-Methoxyphenyl)-5-phenyl-1,2,4-triazol-1-yl]ethanone
CID 155521216
3,5-Bis(4-methoxyphenyl)-1,2,4-thiadiazole
CID 596715
N-tert-butyl-1-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]methanimine oxide
CID 25132880
5-[4-[[3-(Trifluoromethyl)phenoxy]methyl]phenyl]-1,2,4-thiadiazole
CID 2739733
3-(3-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 43556066
3-(4-Methoxyphenyl)-1,2,4-thiadiazol-5-amine
CID 16446930
5-[4-(2-Methoxyphenyl)piperidin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 2810769
3,5-Bis(4-methoxyphenyl)-1,2,4-selenadiazole
CID 583974

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole?
The IUPAC name of 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole (CID 56837846) is 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole?
The canonical SMILES for 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole is COc1cccc(-c2nsc(-c3cccc(OC)c3)n2)c1.
What is the InChIKey of 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole?
The InChIKey is CWXKIXQVOVUDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-13-7-3-5-11(9-13)15-17-16(21-18-15)12-6-4-8-14(10-12)20-2/h3-10H,1-2H3.
What are the key properties of 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole?
3,5-bis(3-methoxyphenyl)-1,2,4-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 3,5-bis(3-methoxyphenyl)-1,2,4-thiadiazole is sourced from PubChem (CID 56837846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).