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

C12H20N2OS — CID 46784943

IUPACN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESCOCCNC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C12H20N2OS/c1-9(13-7-8-15-2)12-14-10-5-3-4-6-11(10)16-12/h9,13H,3-8H2,1-2H3
InChIKeyPKLKTMCTFWYMMK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.32
Rot. Bonds5

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

N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (PubChem CID 46784943) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
PubChem CID46784943
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
SMILESCOCCNC(C)c1nc2c(s1)CCCC2
InChIInChI=1S/C12H20N2OS/c1-9(13-7-8-15-2)12-14-10-5-3-4-6-11(10)16-12/h9,13H,3-8H2,1-2H3
InChIKeyPKLKTMCTFWYMMK-UHFFFAOYSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine (CID 46784943) is N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is COCCNC(C)c1nc2c(s1)CCCC2.
What is the InChIKey of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
The InChIKey is PKLKTMCTFWYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9(13-7-8-15-2)12-14-10-5-3-4-6-11(10)16-12/h9,13H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine?
N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine is sourced from PubChem (CID 46784943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).