N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

C15H25N3OS — CID 62749694

IUPACN-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCNC1CC(C)(C)Cc2nc(N3CCOCC3)sc21
InChIInChI=1S/C15H25N3OS/c1-4-16-11-9-15(2,3)10-12-13(11)20-14(17-12)18-5-7-19-8-6-18/h11,16H,4-10H2,1-3H3
InChIKeyYRAUFVCCZLEESE-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.60
Rot. Bonds3

About N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine

N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (PubChem CID 62749694) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
PubChem CID62749694
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine
SMILESCCNC1CC(C)(C)Cc2nc(N3CCOCC3)sc21
InChIInChI=1S/C15H25N3OS/c1-4-16-11-9-15(2,3)10-12-13(11)20-14(17-12)18-5-7-19-8-6-18/h11,16H,4-10H2,1-3H3
InChIKeyYRAUFVCCZLEESE-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine (CID 62749694) is N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is CCNC1CC(C)(C)Cc2nc(N3CCOCC3)sc21.
What is the InChIKey of N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
The InChIKey is YRAUFVCCZLEESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-16-11-9-15(2,3)10-12-13(11)20-14(17-12)18-5-7-19-8-6-18/h11,16H,4-10H2,1-3H3.
What are the key properties of N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine?
N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine has a molecular weight of 295.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-2-morpholin-4-yl-6,7-dihydro-4H-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62749694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).