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

C15H24N2O2S — CID 62541731

IUPACN-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine
SMILESCOCCNC1(c2nc3c(s2)CCCC3)CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-18-11-8-16-15(6-9-19-10-7-15)14-17-12-4-2-3-5-13(12)20-14/h16H,2-11H2,1H3
InChIKeyMKXNOKOYMUKXMR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.26
Rot. Bonds5

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

N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine (PubChem CID 62541731) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine
PubChem CID62541731
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine
SMILESCOCCNC1(c2nc3c(s2)CCCC3)CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-18-11-8-16-15(6-9-19-10-7-15)14-17-12-4-2-3-5-13(12)20-14/h16H,2-11H2,1H3
InChIKeyMKXNOKOYMUKXMR-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)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine (CID 62541731) is N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine is COCCNC1(c2nc3c(s2)CCCC3)CCOCC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine?
The InChIKey is MKXNOKOYMUKXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-18-11-8-16-15(6-9-19-10-7-15)14-17-12-4-2-3-5-13(12)20-14/h16H,2-11H2,1H3.
What are the key properties of N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine?
N-(2-methoxyethyl)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-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)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)oxan-4-amine is sourced from PubChem (CID 62541731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).