5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine

C13H14N2OS — CID 107683014

IUPAC5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(OCc3nccs3)ccc21
InChIInChI=1S/C13H14N2OS/c14-12-4-1-9-7-10(2-3-11(9)12)16-8-13-15-5-6-17-13/h2-3,5-7,12H,1,4,8,14H2
InChIKeyFJSXSMUAZOQZNF-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.67
Rot. Bonds3

About 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine

5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683014) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID107683014
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2cc(OCc3nccs3)ccc21
InChIInChI=1S/C13H14N2OS/c14-12-4-1-9-7-10(2-3-11(9)12)16-8-13-15-5-6-17-13/h2-3,5-7,12H,1,4,8,14H2
InChIKeyFJSXSMUAZOQZNF-UHFFFAOYSA-N
XLogP2.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-bromothiophen-2-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683066
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682901
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682898
5-[[1-(difluoromethyl)imidazol-2-yl]methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683199
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683060
4-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 107683179
(1R)-5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 106263043
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]-4-fluorobenzonitrile
CID 107902761
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067
(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
CID 106437189
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine (CID 107683014) is 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine is NC1CCc2cc(OCc3nccs3)ccc21.
What is the InChIKey of 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is FJSXSMUAZOQZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-12-4-1-9-7-10(2-3-11(9)12)16-8-13-15-5-6-17-13/h2-3,5-7,12H,1,4,8,14H2.
What are the key properties of 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine?
5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 246.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).