N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

C11H17N3OS — CID 104624872

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)NCC2=CCCOC2)s1
InChIInChI=1S/C11H17N3OS/c1-8(11-14-13-9(2)16-11)12-6-10-4-3-5-15-7-10/h4,8,12H,3,5-7H2,1-2H3
InChIKeyGWPAOVLXFSVTNX-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.84
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (PubChem CID 104624872) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
PubChem CID104624872
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)NCC2=CCCOC2)s1
InChIInChI=1S/C11H17N3OS/c1-8(11-14-13-9(2)16-11)12-6-10-4-3-5-15-7-10/h4,8,12H,3,5-7H2,1-2H3
InChIKeyGWPAOVLXFSVTNX-UHFFFAOYSA-N
XLogP1.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 115742030
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-phenylethanamine
CID 115741761
N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624873
N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624876
1-cyclohexyl-N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115742173
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 115747382
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 115741814
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]heptan-3-amine
CID 104628519
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588597
1-(3,6-dihydro-2H-pyran-5-ylmethylamino)-3-methylbutan-2-ol
CID 115742083
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-2-ethylbutan-1-amine
CID 115742022

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (CID 104624872) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is Cc1nnc(C(C)NCC2=CCCOC2)s1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The InChIKey is GWPAOVLXFSVTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(11-14-13-9(2)16-11)12-6-10-4-3-5-15-7-10/h4,8,12H,3,5-7H2,1-2H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine has a molecular weight of 239.34 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is sourced from PubChem (CID 104624872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).