1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol

C15H18N2O2S — CID 71922623

IUPAC1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCOCc1nc(CNC2c3ccccc3CC2O)cs1
InChIInChI=1S/C15H18N2O2S/c1-19-8-14-17-11(9-20-14)7-16-15-12-5-3-2-4-10(12)6-13(15)18/h2-5,9,13,15-16,18H,6-8H2,1H3
InChIKeyVCNBSNKEISOIBR-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.04
Rot. Bonds5

About 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol

1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 71922623) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
PubChem CID71922623
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol
SMILESCOCc1nc(CNC2c3ccccc3CC2O)cs1
InChIInChI=1S/C15H18N2O2S/c1-19-8-14-17-11(9-20-14)7-16-15-12-5-3-2-4-10(12)6-13(15)18/h2-5,9,13,15-16,18H,6-8H2,1H3
InChIKeyVCNBSNKEISOIBR-UHFFFAOYSA-N
XLogP2.04
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol (CID 71922623) is 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol is COCc1nc(CNC2c3ccccc3CC2O)cs1.
What is the InChIKey of 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is VCNBSNKEISOIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-8-14-17-11(9-20-14)7-16-15-12-5-3-2-4-10(12)6-13(15)18/h2-5,9,13,15-16,18H,6-8H2,1H3.
What are the key properties of 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol?
1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 290.39 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 71922623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).