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

C13H14N2OS — CID 79774116

IUPAC5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C13H14N2OS/c14-13-15-7-12(17-13)8-16-11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2,(H2,14,15)
InChIKeyDGYTVCYHMRIUDD-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.79
Rot. Bonds3

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

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine (PubChem CID 79774116) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine
PubChem CID79774116
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine
SMILESNc1ncc(COc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C13H14N2OS/c14-13-15-7-12(17-13)8-16-11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2,(H2,14,15)
InChIKeyDGYTVCYHMRIUDD-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propyl-1,3-thiazol-2-amine
CID 79774302
5-[(4-fluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 79775144
2-chloro-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3,4-thiadiazole
CID 80606126
5-[(7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)methyl]-1,3-thiazol-2-amine
CID 120902755
5-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridin-2-amine
CID 55127792
2-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazole-5-carbaldehyde
CID 82301125
5-[(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903904
N-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107558683
5-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)pyridin-2-amine
CID 62885826
3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
CID 82085161
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,3-thiazol-5-amine
CID 102769457
5-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60644006

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine (CID 79774116) is 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine is Nc1ncc(COc2ccc3c(c2)CCC3)s1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine?
The InChIKey is DGYTVCYHMRIUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c14-13-15-7-12(17-13)8-16-11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3,8H2,(H2,14,15).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine?
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine has a molecular weight of 246.34 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79774116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).