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

C12H12N2OS — CID 126953989

IUPAC2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Oc1nccs1
InChIInChI=1S/C12H12N2OS/c13-11-9-4-2-1-3-8(9)7-10(11)15-12-14-5-6-16-12/h1-6,10-11H,7,13H2
InChIKeyPHLKGWKNFLDXPG-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.15
Rot. Bonds2

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

2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 126953989) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID126953989
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine
SMILESNC1c2ccccc2CC1Oc1nccs1
InChIInChI=1S/C12H12N2OS/c13-11-9-4-2-1-3-8(9)7-10(11)15-12-14-5-6-16-12/h1-6,10-11H,7,13H2
InChIKeyPHLKGWKNFLDXPG-UHFFFAOYSA-N
XLogP2.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine (CID 126953989) is 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine is NC1c2ccccc2CC1Oc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PHLKGWKNFLDXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-11-9-4-2-1-3-8(9)7-10(11)15-12-14-5-6-16-12/h1-6,10-11H,7,13H2.
What are the key properties of 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine?
2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 232.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yloxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126953989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).