2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine

C16H23N3OS — CID 79826726

IUPAC2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1nc2ccccc2s1)C1CN(C)CCO1
InChIInChI=1S/C16H23N3OS/c1-3-17-13(14-11-19(2)8-9-20-14)10-16-18-12-6-4-5-7-15(12)21-16/h4-7,13-14,17H,3,8-11H2,1-2H3
InChIKeyYADFVFRLEPTRHX-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.15
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine

2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine (PubChem CID 79826726) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
PubChem CID79826726
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
SMILESCCNC(Cc1nc2ccccc2s1)C1CN(C)CCO1
InChIInChI=1S/C16H23N3OS/c1-3-17-13(14-11-19(2)8-9-20-14)10-16-18-12-6-4-5-7-15(12)21-16/h4-7,13-14,17H,3,8-11H2,1-2H3
InChIKeyYADFVFRLEPTRHX-UHFFFAOYSA-N
XLogP2.15
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(4-propylmorpholin-2-yl)ethanol
CID 79826331
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(3-methyl-1,4-dithian-2-yl)ethanamine
CID 115387042
N-ethyl-2-(1-methylimidazol-2-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79761166
2-(3-bromophenyl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine
CID 79093554
N-[(4-methylmorpholin-2-yl)-naphthalen-1-ylmethyl]ethanamine
CID 79095140
1-(1,3-benzothiazol-2-yl)-N-ethyl-3-(thian-4-yl)propan-2-amine
CID 105169791
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylmorpholin-2-yl)ethyl]propan-1-amine
CID 79093466
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79094980
N-[(4-methylmorpholin-2-yl)-quinolin-6-ylmethyl]ethanamine
CID 81229498
N-ethyl-1-(4-methylmorpholin-2-yl)heptan-1-amine
CID 79092487
methyl 2-[(2R)-4-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]morpholin-2-yl]acetate
CID 96548441
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-thiophen-2-ylquinazolin-4-amine
CID 133386447

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine (CID 79826726) is 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine is CCNC(Cc1nc2ccccc2s1)C1CN(C)CCO1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine?
The InChIKey is YADFVFRLEPTRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-17-13(14-11-19(2)8-9-20-14)10-16-18-12-6-4-5-7-15(12)21-16/h4-7,13-14,17H,3,8-11H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine?
2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine has a molecular weight of 305.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-N-ethyl-1-(4-methylmorpholin-2-yl)ethanamine is sourced from PubChem (CID 79826726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).