N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

C16H28N2O2S — CID 86803526

IUPACN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCOC(C)c1nc(CNC2CC(C)(C)OC2(C)C)cs1
InChIInChI=1S/C16H28N2O2S/c1-7-19-11(2)14-18-12(10-21-14)9-17-13-8-15(3,4)20-16(13,5)6/h10-11,13,17H,7-9H2,1-6H3
InChIKeyYPXWPPSSTROEPO-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.68
Rot. Bonds6

About N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine

N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 86803526) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID86803526
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCOC(C)c1nc(CNC2CC(C)(C)OC2(C)C)cs1
InChIInChI=1S/C16H28N2O2S/c1-7-19-11(2)14-18-12(10-21-14)9-17-13-8-15(3,4)20-16(13,5)6/h10-11,13,17H,7-9H2,1-6H3
InChIKeyYPXWPPSSTROEPO-UHFFFAOYSA-N
XLogP3.68
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine (CID 86803526) is N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is CCOC(C)c1nc(CNC2CC(C)(C)OC2(C)C)cs1.
What is the InChIKey of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is YPXWPPSSTROEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-7-19-11(2)14-18-12(10-21-14)9-17-13-8-15(3,4)20-16(13,5)6/h10-11,13,17H,7-9H2,1-6H3.
What are the key properties of N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine?
N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 312.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 86803526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).