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

C16H27N3S — CID 62750084

IUPACN-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(N3CCCCC3CC)sc21
InChIInChI=1S/C16H27N3S/c1-3-12-8-5-6-11-19(12)16-18-14-10-7-9-13(17-4-2)15(14)20-16/h12-13,17H,3-11H2,1-2H3
InChIKeyKEFQBNUUOKRTTB-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.90
Rot. Bonds4

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

N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62750084) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62750084
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC NameN-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(N3CCCCC3CC)sc21
InChIInChI=1S/C16H27N3S/c1-3-12-8-5-6-11-19(12)16-18-14-10-7-9-13(17-4-2)15(14)20-16/h12-13,17H,3-11H2,1-2H3
InChIKeyKEFQBNUUOKRTTB-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62750084) is N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(N3CCCCC3CC)sc21.
What is the InChIKey of N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is KEFQBNUUOKRTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-3-12-8-5-6-11-19(12)16-18-14-10-7-9-13(17-4-2)15(14)20-16/h12-13,17H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 293.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethylpiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62750084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).