N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

C17H23N3S — CID 126811695

IUPACN-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)Cc1cnc(CN(C)C2CCc3ccccc32)s1
InChIInChI=1S/C17H23N3S/c1-19(2)11-14-10-18-17(21-14)12-20(3)16-9-8-13-6-4-5-7-15(13)16/h4-7,10,16H,8-9,11-12H2,1-3H3
InChIKeySJESGYCXYWCADV-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.32
Rot. Bonds5

About N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine

N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 126811695) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID126811695
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCN(C)Cc1cnc(CN(C)C2CCc3ccccc32)s1
InChIInChI=1S/C17H23N3S/c1-19(2)11-14-10-18-17(21-14)12-20(3)16-9-8-13-6-4-5-7-15(13)16/h4-7,10,16H,8-9,11-12H2,1-3H3
InChIKeySJESGYCXYWCADV-UHFFFAOYSA-N
XLogP3.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-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

1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
CID 126838082
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]phenol
CID 82976717
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
(1R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 95582684
N-methyl-N-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 134791752
N-[(2,3-difluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039074
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 87015872
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 47020638
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039099
5-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methylpyrimidin-2-amine
CID 99813703
2-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 134043154
4-[[2,3-dihydro-1H-inden-1-yl(methyl)amino]methyl]benzonitrile
CID 47147174

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 126811695) is N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is CN(C)Cc1cnc(CN(C)C2CCc3ccccc32)s1.
What is the InChIKey of N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SJESGYCXYWCADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-19(2)11-14-10-18-17(21-14)12-20(3)16-9-8-13-6-4-5-7-15(13)16/h4-7,10,16H,8-9,11-12H2,1-3H3.
What are the key properties of N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine?
N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 301.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126811695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).