1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine

C19H28N6S — CID 162656207

IUPAC1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C19H28N6S/c1-4-24(5-2)13-9-10-15(3)20-14-17-23-25-18(21-22-19(25)26-17)16-11-7-6-8-12-16/h6-8,11-12,15,20H,4-5,9-10,13-14H2,1-3H3
InChIKeyVKWQTYSHJWGMAZ-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.45
Rot. Bonds10

About 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine (PubChem CID 162656207) has the molecular formula C19H28N6S and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine
PubChem CID162656207
Molecular FormulaC19H28N6S
Molecular Weight372.54 g/mol
Exact Mass372.21
IUPAC Name1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1nn2c(-c3ccccc3)nnc2s1
InChIInChI=1S/C19H28N6S/c1-4-24(5-2)13-9-10-15(3)20-14-17-23-25-18(21-22-19(25)26-17)16-11-7-6-8-12-16/h6-8,11-12,15,20H,4-5,9-10,13-14H2,1-3H3
InChIKeyVKWQTYSHJWGMAZ-UHFFFAOYSA-N
XLogP3.45
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6,6-dimethyl-3-phenyl-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 946523
1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 3-phenyl-6-(phenylmethyl)-
CID 7313623
(1S)-1-(6-benzylsulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)-2-phenylethanamine
CID 666671
3-Cyclohexyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 662246
3-(4-Methylphenyl)-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234099
3-Ethyl-6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2986999
6-(3-Fluorophenyl)-3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 6472398
6-(3-Fluorophenyl)-3-(1-piperidinylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 44615633
N-ethyl-N-{[6-(1-phenylpropyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}ethanamine
CID 51370349
6-Heptadecyl-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 66574175
3-Phenyl-6-[2-(1-pyrrolidinyl)ethyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71620591
6-[2-(1-Azepanyl)ethyl]-3-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71620592

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine (CID 162656207) is 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NCc1nn2c(-c3ccccc3)nnc2s1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine?
The InChIKey is VKWQTYSHJWGMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6S/c1-4-24(5-2)13-9-10-15(3)20-14-17-23-25-18(21-22-19(25)26-17)16-11-7-6-8-12-16/h6-8,11-12,15,20H,4-5,9-10,13-14H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine has a molecular weight of 372.54 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 162656207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).