1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine

C24H24N6S — CID 71050790

IUPAC1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(-c2cnc3ccc(Cc4nnc5sc(CN(C)C)nn45)cc3c2)cc1C
InChIInChI=1S/C24H24N6S/c1-15-5-7-18(9-16(15)2)20-12-19-10-17(6-8-21(19)25-13-20)11-22-26-27-24-30(22)28-23(31-24)14-29(3)4/h5-10,12-13H,11,14H2,1-4H3
InChIKeyBIIBSAAHLATQAP-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.67
Rot. Bonds5

About 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine

1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine (PubChem CID 71050790) has the molecular formula C24H24N6S and a molecular weight of 428.57 g/mol. Its IUPAC name is 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine
PubChem CID71050790
Molecular FormulaC24H24N6S
Molecular Weight428.57 g/mol
Exact Mass428.18
IUPAC Name1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine
SMILESCc1ccc(-c2cnc3ccc(Cc4nnc5sc(CN(C)C)nn45)cc3c2)cc1C
InChIInChI=1S/C24H24N6S/c1-15-5-7-18(9-16(15)2)20-12-19-10-17(6-8-21(19)25-13-20)11-22-26-27-24-30(22)28-23(31-24)14-29(3)4/h5-10,12-13H,11,14H2,1-4H3
InChIKeyBIIBSAAHLATQAP-UHFFFAOYSA-N
XLogP4.67
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine (CID 71050790) is 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine is Cc1ccc(-c2cnc3ccc(Cc4nnc5sc(CN(C)C)nn45)cc3c2)cc1C.
What is the InChIKey of 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine?
The InChIKey is BIIBSAAHLATQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6S/c1-15-5-7-18(9-16(15)2)20-12-19-10-17(6-8-21(19)25-13-20)11-22-26-27-24-30(22)28-23(31-24)14-29(3)4/h5-10,12-13H,11,14H2,1-4H3.
What are the key properties of 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine?
1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine has a molecular weight of 428.57 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3,4-dimethylphenyl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 71050790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).