N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine

C17H23N3S — CID 64543987

IUPACN-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(N2CCc3ccccc3CC2)n1
InChIInChI=1S/C17H23N3S/c1-3-18-13(2)16-12-21-17(19-16)20-10-8-14-6-4-5-7-15(14)9-11-20/h4-7,12-13,18H,3,8-11H2,1-2H3
InChIKeyXVWCPXTZKLMOCY-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.42
Rot. Bonds4

About N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine

N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64543987) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64543987
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCNC(C)c1csc(N2CCc3ccccc3CC2)n1
InChIInChI=1S/C17H23N3S/c1-3-18-13(2)16-12-21-17(19-16)20-10-8-14-6-4-5-7-15(14)9-11-20/h4-7,12-13,18H,3,8-11H2,1-2H3
InChIKeyXVWCPXTZKLMOCY-UHFFFAOYSA-N
XLogP3.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine 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

N-ethyl-1-(2-thiomorpholin-4-yl-1,3-thiazol-4-yl)ethanamine
CID 64545146
1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64543177
1-[2-(3,3-dimethylpiperidin-1-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544997
N-ethyl-1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-4-yl]ethanamine
CID 64543578
1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544380
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]-N-ethylethanamine
CID 83111170
4-bromo-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazole
CID 79398939
1-[2-(4-butan-2-ylpiperazin-1-yl)-1,3-thiazol-4-yl]-N-methylethanamine
CID 64543572
1-[2-(2,5-dimethylmorpholin-4-yl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64542721
1-[2-(2-bromophenyl)-1,3-thiazol-4-yl]-N-ethylethanamine
CID 64544083
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethyl]propan-1-amine
CID 66369662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine (CID 64543987) is N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine is CCNC(C)c1csc(N2CCc3ccccc3CC2)n1.
What is the InChIKey of N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is XVWCPXTZKLMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-18-13(2)16-12-21-17(19-16)20-10-8-14-6-4-5-7-15(14)9-11-20/h4-7,12-13,18H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine?
N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64543987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).