7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine

C21H23N3S — CID 24816387

IUPAC7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine
SMILESCc1ccc(C2NC(c3ccc(C)cc3)C(C)(C)c3nnsc32)cc1
InChIInChI=1S/C21H23N3S/c1-13-5-9-15(10-6-13)17-18-20(23-24-25-18)21(3,4)19(22-17)16-11-7-14(2)8-12-16/h5-12,17,19,22H,1-4H3
InChIKeyXDJIYQAXBWUUGY-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.87
Rot. Bonds2

About 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine

7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine (PubChem CID 24816387) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine
PubChem CID24816387
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC Name7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine
SMILESCc1ccc(C2NC(c3ccc(C)cc3)C(C)(C)c3nnsc32)cc1
InChIInChI=1S/C21H23N3S/c1-13-5-9-15(10-6-13)17-18-20(23-24-25-18)21(3,4)19(22-17)16-11-7-14(2)8-12-16/h5-12,17,19,22H,1-4H3
InChIKeyXDJIYQAXBWUUGY-UHFFFAOYSA-N
XLogP4.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine?
The IUPAC name of 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine (CID 24816387) is 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine.
What is the SMILES notation for 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine?
The canonical SMILES for 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine is Cc1ccc(C2NC(c3ccc(C)cc3)C(C)(C)c3nnsc32)cc1.
What is the InChIKey of 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine?
The InChIKey is XDJIYQAXBWUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3S/c1-13-5-9-15(10-6-13)17-18-20(23-24-25-18)21(3,4)19(22-17)16-11-7-14(2)8-12-16/h5-12,17,19,22H,1-4H3.
What are the key properties of 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine?
7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine has a molecular weight of 349.50 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4,6-bis(4-methylphenyl)-5,6-dihydro-4H-thiadiazolo[5,4-c]pyridine is sourced from PubChem (CID 24816387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).