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

C15H25N3OS — CID 64977321

IUPAC2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCNC1CCCc2sc(N3CCOC(C)(C)C3)nc21
InChIInChI=1S/C15H25N3OS/c1-4-16-11-6-5-7-12-13(11)17-14(20-12)18-8-9-19-15(2,3)10-18/h11,16H,4-10H2,1-3H3
InChIKeyJANRNQIRHOPTRX-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.75
Rot. Bonds3

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

2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 64977321) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID64977321
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCCNC1CCCc2sc(N3CCOC(C)(C)C3)nc21
InChIInChI=1S/C15H25N3OS/c1-4-16-11-6-5-7-12-13(11)17-14(20-12)18-8-9-19-15(2,3)10-18/h11,16H,4-10H2,1-3H3
InChIKeyJANRNQIRHOPTRX-UHFFFAOYSA-N
XLogP2.75
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine with MolForge

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Related Compounds

N-ethyl-2-(2-ethylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976775
N-ethyl-2-(2-ethyl-5-methylpyrrolidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 83221890
2-(4,4-dimethylazepan-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 65286484
N-methyl-2-(2-methylmorpholin-4-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976705
2-tert-butyl-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976182
N-methyl-2-(4-propan-2-ylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103503605
N-methyl-2-(4-propylpiperazin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976997
N-ethyl-2-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976228
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 79096383
2-(2-methylpiperidin-1-yl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64976976
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62766790
2-(4-tert-butylpiperidin-1-yl)-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 64977286

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 64977321) is 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is CCNC1CCCc2sc(N3CCOC(C)(C)C3)nc21.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is JANRNQIRHOPTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-16-11-6-5-7-12-13(11)17-14(20-12)18-8-9-19-15(2,3)10-18/h11,16H,4-10H2,1-3H3.
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 295.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 64977321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).