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

C17H22N2O2S — CID 75471961

IUPAC2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
SMILESCOC(C)c1nc(CN(C)C2Cc3ccccc3C2O)cs1
InChIInChI=1S/C17H22N2O2S/c1-11(21-3)17-18-13(10-22-17)9-19(2)15-8-12-6-4-5-7-14(12)16(15)20/h4-7,10-11,15-16,20H,8-9H2,1-3H3
InChIKeyPSNMMBFCLUIMKC-UHFFFAOYSA-N
MW318.44 g/mol
LogP2.94
Rot. Bonds5

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

2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol (PubChem CID 75471961) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
PubChem CID75471961
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol
SMILESCOC(C)c1nc(CN(C)C2Cc3ccccc3C2O)cs1
InChIInChI=1S/C17H22N2O2S/c1-11(21-3)17-18-13(10-22-17)9-19(2)15-8-12-6-4-5-7-14(12)16(15)20/h4-7,10-11,15-16,20H,8-9H2,1-3H3
InChIKeyPSNMMBFCLUIMKC-UHFFFAOYSA-N
XLogP2.94
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol (CID 75471961) is 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol is COC(C)c1nc(CN(C)C2Cc3ccccc3C2O)cs1.
What is the InChIKey of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is PSNMMBFCLUIMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(21-3)17-18-13(10-22-17)9-19(2)15-8-12-6-4-5-7-14(12)16(15)20/h4-7,10-11,15-16,20H,8-9H2,1-3H3.
What are the key properties of 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol?
2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 318.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl-methylamino]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 75471961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).