N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C16H27N3OS — CID 106589570

IUPACN-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(N3CCCC(COC)C3)sc21
InChIInChI=1S/C16H27N3OS/c1-3-17-13-7-4-8-14-15(13)21-16(18-14)19-9-5-6-12(10-19)11-20-2/h12-13,17H,3-11H2,1-2H3
InChIKeySOPAIMNLIXBGCE-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.99
Rot. Bonds5

About N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 106589570) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID106589570
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(N3CCCC(COC)C3)sc21
InChIInChI=1S/C16H27N3OS/c1-3-17-13-7-4-8-14-15(13)21-16(18-14)19-9-5-6-12(10-19)11-20-2/h12-13,17H,3-11H2,1-2H3
InChIKeySOPAIMNLIXBGCE-UHFFFAOYSA-N
XLogP2.99
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 106589570) is N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(N3CCCC(COC)C3)sc21.
What is the InChIKey of N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is SOPAIMNLIXBGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-3-17-13-7-4-8-14-15(13)21-16(18-14)19-9-5-6-12(10-19)11-20-2/h12-13,17H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 309.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(methoxymethyl)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 106589570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).