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

C16H21N3S — CID 82740930

IUPACN-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3ncccc3CC)sc21
InChIInChI=1S/C16H21N3S/c1-3-11-7-6-10-18-14(11)16-19-13-9-5-8-12(17-4-2)15(13)20-16/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyIJASTDAVSWETKO-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.75
Rot. Bonds4

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

N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 82740930) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID82740930
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(-c3ncccc3CC)sc21
InChIInChI=1S/C16H21N3S/c1-3-11-7-6-10-18-14(11)16-19-13-9-5-8-12(17-4-2)15(13)20-16/h6-7,10,12,17H,3-5,8-9H2,1-2H3
InChIKeyIJASTDAVSWETKO-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 82740930) is N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(-c3ncccc3CC)sc21.
What is the InChIKey of N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is IJASTDAVSWETKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-11-7-6-10-18-14(11)16-19-13-9-5-8-12(17-4-2)15(13)20-16/h6-7,10,12,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 287.43 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-ethyl-2-pyridinyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 82740930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).