2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole

C20H26N2S — CID 143992406

IUPAC2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole
SMILESCc1cccc(C)c1N1C=CN(c2c(C)cccc2C)S1(C)C
InChIInChI=1S/C20H26N2S/c1-15-9-7-10-16(2)19(15)21-13-14-22(23(21,5)6)20-17(3)11-8-12-18(20)4/h7-14H,1-6H3
InChIKeyRVYFJUPCUMYDOF-UHFFFAOYSA-N
MW326.51 g/mol
LogP5.61
Rot. Bonds2

About 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole

2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole (PubChem CID 143992406) has the molecular formula C20H26N2S and a molecular weight of 326.51 g/mol. Its IUPAC name is 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole.

Molecular Properties

Compound Name2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole
PubChem CID143992406
Molecular FormulaC20H26N2S
Molecular Weight326.51 g/mol
Exact Mass326.18
IUPAC Name2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole
SMILESCc1cccc(C)c1N1C=CN(c2c(C)cccc2C)S1(C)C
InChIInChI=1S/C20H26N2S/c1-15-9-7-10-16(2)19(15)21-13-14-22(23(21,5)6)20-17(3)11-8-12-18(20)4/h7-14H,1-6H3
InChIKeyRVYFJUPCUMYDOF-UHFFFAOYSA-N
XLogP5.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.51
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole?
The IUPAC name of 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole (CID 143992406) is 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole.
What is the SMILES notation for 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole?
The canonical SMILES for 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole is Cc1cccc(C)c1N1C=CN(c2c(C)cccc2C)S1(C)C.
What is the InChIKey of 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole?
The InChIKey is RVYFJUPCUMYDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2S/c1-15-9-7-10-16(2)19(15)21-13-14-22(23(21,5)6)20-17(3)11-8-12-18(20)4/h7-14H,1-6H3.
What are the key properties of 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole?
2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole has a molecular weight of 326.51 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2,6-dimethylphenyl)-1,1-dimethyl-1,2,5-thiadiazole is sourced from PubChem (CID 143992406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).