2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide

C16H18N4OS — CID 54517377

IUPAC2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccc2c(c1)N=C(N)c1sccc1C2
InChIInChI=1S/C16H18N4OS/c1-20(9-14(17)21)8-10-2-3-11-7-12-4-5-22-15(12)16(18)19-13(11)6-10/h2-6H,7-9H2,1H3,(H2,17,21)(H2,18,19)
InChIKeyYNINTPMWGWLFQH-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.61
Rot. Bonds4

About 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide

2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide (PubChem CID 54517377) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide
PubChem CID54517377
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1ccc2c(c1)N=C(N)c1sccc1C2
InChIInChI=1S/C16H18N4OS/c1-20(9-14(17)21)8-10-2-3-11-7-12-4-5-22-15(12)16(18)19-13(11)6-10/h2-6H,7-9H2,1H3,(H2,17,21)(H2,18,19)
InChIKeyYNINTPMWGWLFQH-UHFFFAOYSA-N
XLogP1.61
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
7-(chloromethyl)-10H-thieno[3,2-c][1]benzazepin-4-amine
CID 54317409
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
(E)-3-[4-[[(2-amino-2-oxoethyl)-methylamino]methyl]phenyl]prop-2-enoic acid
CID 94233067
2-[(3-tert-butyl-4-methoxyphenyl)methyl-methylamino]acetamide
CID 115259966
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)methyl]amino]acetamide
CID 115260032
4-[methyl(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)amino]butan-2-one
CID 115235761
2-[(3-amino-4-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43376088
2-[4-[[(2-amino-2-oxoethyl)-methylamino]methyl]phenyl]propanoic acid
CID 105345669
2-[(4-butan-2-ylphenyl)methyl-methylamino]acetamide
CID 115259965
4,5-dihydrothieno[2,3-c]pyridin-7-amine
CID 18785787

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide?
The IUPAC name of 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide (CID 54517377) is 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide.
What is the SMILES notation for 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide?
The canonical SMILES for 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide is CN(CC(N)=O)Cc1ccc2c(c1)N=C(N)c1sccc1C2.
What is the InChIKey of 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide?
The InChIKey is YNINTPMWGWLFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-20(9-14(17)21)8-10-2-3-11-7-12-4-5-22-15(12)16(18)19-13(11)6-10/h2-6H,7-9H2,1H3,(H2,17,21)(H2,18,19).
What are the key properties of 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide?
2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide has a molecular weight of 314.41 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-10H-thieno[2,3-c][1]benzazepin-7-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 54517377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).