N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine

C17H23N3S — CID 107127894

IUPACN-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C2CCc3ccccc3C2)s1
InChIInChI=1S/C17H23N3S/c1-2-10-18-11-9-16-19-20-17(21-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-6,15,18H,2,7-12H2,1H3
InChIKeyVLUYJJAYGDVCOV-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.35
Rot. Bonds6

About N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine

N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 107127894) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
PubChem CID107127894
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(C2CCc3ccccc3C2)s1
InChIInChI=1S/C17H23N3S/c1-2-10-18-11-9-16-19-20-17(21-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-6,15,18H,2,7-12H2,1H3
InChIKeyVLUYJJAYGDVCOV-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine 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-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
CID 107127896
N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 106894431
N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65406026
2-[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 79154381
3-[5-(2,3-dihydro-1-benzothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 79211742
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 65405264
2-cyclopropyl-5-(1,2,3,4-tetrahydronaphthalen-2-ylsulfanyl)-1,3,4-thiadiazole
CID 75457314
3-[5-(2,2-dimethylcyclopentyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 107185508
2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
1-[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 106894443
N-[2-[5-(2-fluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81478434

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine (CID 107127894) is N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(C2CCc3ccccc3C2)s1.
What is the InChIKey of N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is VLUYJJAYGDVCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-2-10-18-11-9-16-19-20-17(21-16)15-8-7-13-5-3-4-6-14(13)12-15/h3-6,15,18H,2,7-12H2,1H3.
What are the key properties of N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 107127894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).