N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine

C15H24N2O2S — CID 82718173

IUPACN-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
SMILESCOCCNC1(c2nc3c(s2)CCCC3)CCOC1C
InChIInChI=1S/C15H24N2O2S/c1-11-15(7-9-19-11,16-8-10-18-2)14-17-12-5-3-4-6-13(12)20-14/h11,16H,3-10H2,1-2H3
InChIKeyUQHBNOQPHUKNIM-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds5

About N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine

N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine (PubChem CID 82718173) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
PubChem CID82718173
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine
SMILESCOCCNC1(c2nc3c(s2)CCCC3)CCOC1C
InChIInChI=1S/C15H24N2O2S/c1-11-15(7-9-19-11,16-8-10-18-2)14-17-12-5-3-4-6-13(12)20-14/h11,16H,3-10H2,1-2H3
InChIKeyUQHBNOQPHUKNIM-UHFFFAOYSA-N
XLogP2.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine (CID 82718173) is N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine is COCCNC1(c2nc3c(s2)CCCC3)CCOC1C.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
The InChIKey is UQHBNOQPHUKNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-11-15(7-9-19-11,16-8-10-18-2)14-17-12-5-3-4-6-13(12)20-14/h11,16H,3-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine?
N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine has a molecular weight of 296.44 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 82718173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).