N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C15H19N3OS — CID 80624562

IUPACN-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(OC2CCCc3ccccc32)s1
InChIInChI=1S/C15H19N3OS/c1-2-16-10-14-17-18-15(20-14)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,16H,2,5,7,9-10H2,1H3
InChIKeyUODRYCOGNFZLPN-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.10
Rot. Bonds5

About N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine

N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 80624562) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID80624562
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(OC2CCCc3ccccc32)s1
InChIInChI=1S/C15H19N3OS/c1-2-16-10-14-17-18-15(20-14)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,16H,2,5,7,9-10H2,1H3
InChIKeyUODRYCOGNFZLPN-UHFFFAOYSA-N
XLogP3.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
N-methyl-1-[6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridazin-3-yl]methanamine
CID 62291976
2-(ethylamino)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanamide
CID 63039289
5-(ethylaminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4-oxadiazol-2-amine
CID 106960342
2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
CID 65252108
2-ethyl-N-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
CID 80938646
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 80624562) is N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(OC2CCCc3ccccc32)s1.
What is the InChIKey of N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is UODRYCOGNFZLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-16-10-14-17-18-15(20-14)19-13-9-5-7-11-6-3-4-8-12(11)13/h3-4,6,8,13,16H,2,5,7,9-10H2,1H3.
What are the key properties of N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 80624562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).