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

C12H20N2OS — CID 115705607

IUPAC2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)C(NCCOC)CCC2
InChIInChI=1S/C12H20N2OS/c1-3-11-14-10-6-4-5-9(12(10)16-11)13-7-8-15-2/h9,13H,3-8H2,1-2H3
InChIKeyKWWVLVQLVWXBOK-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.32
Rot. Bonds5

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

2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 115705607) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID115705607
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCc1nc2c(s1)C(NCCOC)CCC2
InChIInChI=1S/C12H20N2OS/c1-3-11-14-10-6-4-5-9(12(10)16-11)13-7-8-15-2/h9,13H,3-8H2,1-2H3
InChIKeyKWWVLVQLVWXBOK-UHFFFAOYSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-ethyl-N-(2-methoxyethyl)-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

Related Compounds

2-butyl-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79411549
N-ethyl-2-(2-methoxypropyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 113391637
1-[4-[(2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)amino]butyl]pyridin-2-one
CID 75383030
(7R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97108466
2-(1-methoxypropyl)-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 116727681
(7S)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97229799
2-[(2-fluorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080080
7-N-ethyl-2-N-(1-methoxypropan-2-yl)-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753047
(7S)-2-ethyl-N-[(2R)-4-methylsulfonylbutan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 97323740
2-ethyl-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 91659963
2-N-ethyl-2-N-(2-methoxyethyl)-7-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62753608
2-[(4-bromophenyl)methyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62080236

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 115705607) is 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCc1nc2c(s1)C(NCCOC)CCC2.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is KWWVLVQLVWXBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-11-14-10-6-4-5-9(12(10)16-11)13-7-8-15-2/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 240.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 115705607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).