N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine

C15H19N3OS — CID 106894431

IUPACN-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnc(C2Cc3ccccc3C2)s1
InChIInChI=1S/C15H19N3OS/c1-19-7-6-16-10-14-17-18-15(20-14)13-8-11-4-2-3-5-12(11)9-13/h2-5,13,16H,6-10H2,1H3
InChIKeyFOSLOXHXJMTBJH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.16
Rot. Bonds6

About N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine

N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine (PubChem CID 106894431) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
PubChem CID106894431
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1nnc(C2Cc3ccccc3C2)s1
InChIInChI=1S/C15H19N3OS/c1-19-7-6-16-10-14-17-18-15(20-14)13-8-11-4-2-3-5-12(11)9-13/h2-5,13,16H,6-10H2,1H3
InChIKeyFOSLOXHXJMTBJH-UHFFFAOYSA-N
XLogP2.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 79205801
N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 107127894
N-[[1-(2,3-dihydro-1H-inden-2-yl)tetrazol-5-yl]methyl]-2-methoxyethanamine
CID 107853826
2-methoxy-N-[[5-(thian-4-ylmethyl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 83136195
N-[(5-indazol-1-yl-1,3,4-thiadiazol-2-yl)methyl]-2-methoxyethanamine
CID 80624438
N-[2-[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,3,4-thiadiazol-2-yl]ethyl]cyclopropanamine
CID 107127896
2-methoxy-N-[[5-(4-methylphenoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80623634
2-methoxy-N-[[5-(2-thiophen-2-ylethoxy)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 80620130
2-methoxy-N-[[5-[(2-methylpropan-2-yl)oxymethyl]-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 112605807
N-[[5-(4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 80620284
1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 66394270
2-methoxy-N-[(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 102922976

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine (CID 106894431) is N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine is COCCNCc1nnc(C2Cc3ccccc3C2)s1.
What is the InChIKey of N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is FOSLOXHXJMTBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-19-7-6-16-10-14-17-18-15(20-14)13-8-11-4-2-3-5-12(11)9-13/h2-5,13,16H,6-10H2,1H3.
What are the key properties of N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dihydro-1H-inden-2-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106894431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).