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

C15H19N3S — CID 63153522

IUPAC1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCCc3ccccc3C2)s1
InChIInChI=1S/C15H19N3S/c1-11(16)14-9-17-15(19-14)18-8-4-7-12-5-2-3-6-13(12)10-18/h2-3,5-6,9,11H,4,7-8,10,16H2,1H3
InChIKeyRZEPJKNANPMKRP-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.12
Rot. Bonds2

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

1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 63153522) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID63153522
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCC(N)c1cnc(N2CCCc3ccccc3C2)s1
InChIInChI=1S/C15H19N3S/c1-11(16)14-9-17-15(19-14)18-8-4-7-12-5-2-3-6-13(12)10-18/h2-3,5-6,9,11H,4,7-8,10,16H2,1H3
InChIKeyRZEPJKNANPMKRP-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 63191127
1-(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 62750156
1-[4-[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]ethyl]phenyl]ethanimine
CID 121342687
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-pyridin-4-ylethyl)-1,3-thiazole;2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(1-quinoxalin-6-ylethyl)-1,3-thiazole
CID 159705087
N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62749865
5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrazin-2-amine
CID 80652652
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanamine
CID 62752357
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 115562408
1-[4-bromo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)phenyl]ethanamine
CID 82955235
2-amino-2-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 104527843
6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80831853
2-(3,6-dimethylpyrazin-2-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 133470623

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine (CID 63153522) is 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine is CC(N)c1cnc(N2CCCc3ccccc3C2)s1.
What is the InChIKey of 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RZEPJKNANPMKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(16)14-9-17-15(19-14)18-8-4-7-12-5-2-3-6-13(12)10-18/h2-3,5-6,9,11H,4,7-8,10,16H2,1H3.
What are the key properties of 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine?
1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 273.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 63153522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).