N,N-diethyl-1,3-benzothiazol-6-amine

C11H14N2S — CID 12675901

IUPACN,N-diethyl-1,3-benzothiazol-6-amine
SMILESCCN(CC)c1ccc2ncsc2c1
InChIInChI=1S/C11H14N2S/c1-3-13(4-2)9-5-6-10-11(7-9)14-8-12-10/h5-8H,3-4H2,1-2H3
InChIKeyMYAYHEHMOLEOQG-UHFFFAOYSA-N
MW206.31 g/mol
LogP3.14
Rot. Bonds3

About N,N-diethyl-1,3-benzothiazol-6-amine

N,N-diethyl-1,3-benzothiazol-6-amine (PubChem CID 12675901) has the molecular formula C11H14N2S and a molecular weight of 206.31 g/mol. Its IUPAC name is N,N-diethyl-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN,N-diethyl-1,3-benzothiazol-6-amine
PubChem CID12675901
Molecular FormulaC11H14N2S
Molecular Weight206.31 g/mol
Exact Mass206.09
IUPAC NameN,N-diethyl-1,3-benzothiazol-6-amine
SMILESCCN(CC)c1ccc2ncsc2c1
InChIInChI=1S/C11H14N2S/c1-3-13(4-2)9-5-6-10-11(7-9)14-8-12-10/h5-8H,3-4H2,1-2H3
InChIKeyMYAYHEHMOLEOQG-UHFFFAOYSA-N
XLogP3.14
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-1,3-benzothiazol-6-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,N-diethyl-1,3-benzothiazol-6-amine?
The IUPAC name of N,N-diethyl-1,3-benzothiazol-6-amine (CID 12675901) is N,N-diethyl-1,3-benzothiazol-6-amine.
What is the SMILES notation for N,N-diethyl-1,3-benzothiazol-6-amine?
The canonical SMILES for N,N-diethyl-1,3-benzothiazol-6-amine is CCN(CC)c1ccc2ncsc2c1.
What is the InChIKey of N,N-diethyl-1,3-benzothiazol-6-amine?
The InChIKey is MYAYHEHMOLEOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S/c1-3-13(4-2)9-5-6-10-11(7-9)14-8-12-10/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-1,3-benzothiazol-6-amine?
N,N-diethyl-1,3-benzothiazol-6-amine has a molecular weight of 206.31 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3-benzothiazol-6-amine is sourced from PubChem (CID 12675901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).