3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide

C17H20N6OS — CID 110425993

IUPAC3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1nnc2sc(CCC(=O)Nc3cccc(N4CCCC4)c3)nn12
InChIInChI=1S/C17H20N6OS/c1-12-19-20-17-23(12)21-16(25-17)8-7-15(24)18-13-5-4-6-14(11-13)22-9-2-3-10-22/h4-6,11H,2-3,7-10H2,1H3,(H,18,24)
InChIKeyQXSUNVQKXSBNFV-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.67
Rot. Bonds5

About 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide

3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 110425993) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
PubChem CID110425993
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESCc1nnc2sc(CCC(=O)Nc3cccc(N4CCCC4)c3)nn12
InChIInChI=1S/C17H20N6OS/c1-12-19-20-17-23(12)21-16(25-17)8-7-15(24)18-13-5-4-6-14(11-13)22-9-2-3-10-22/h4-6,11H,2-3,7-10H2,1H3,(H,18,24)
InChIKeyQXSUNVQKXSBNFV-UHFFFAOYSA-N
XLogP2.67
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide 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

N-(4-bromophenyl)-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385567
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110623398
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-pyridin-2-ylpropanamide
CID 110675483
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 110385943
ethyl 4-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoylamino]benzoate
CID 110385589
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
3-(2-hydroxyphenyl)-N-(3-piperidin-1-ylphenyl)propanamide
CID 47070895
ethyl 4-oxo-4-(3-pyrrolidin-1-ylanilino)butanoate
CID 61062260
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-(3-chlorophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110385908
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide (CID 110425993) is 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide is Cc1nnc2sc(CCC(=O)Nc3cccc(N4CCCC4)c3)nn12.
What is the InChIKey of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is QXSUNVQKXSBNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-12-19-20-17-23(12)21-16(25-17)8-7-15(24)18-13-5-4-6-14(11-13)22-9-2-3-10-22/h4-6,11H,2-3,7-10H2,1H3,(H,18,24).
What are the key properties of 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide?
3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 356.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-(3-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 110425993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).