N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine

C22H25N3S — CID 28768721

IUPACN-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
SMILESCN(Cc1ccccc1)C1(CNCc2nccs2)Cc2ccccc2C1
InChIInChI=1S/C22H25N3S/c1-25(16-18-7-3-2-4-8-18)22(17-23-15-21-24-11-12-26-21)13-19-9-5-6-10-20(19)14-22/h2-12,23H,13-17H2,1H3
InChIKeyPRJVEAFVINLNJQ-UHFFFAOYSA-N
MW363.53 g/mol
LogP3.90
Rot. Bonds7

About N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine

N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine (PubChem CID 28768721) has the molecular formula C22H25N3S and a molecular weight of 363.53 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
PubChem CID28768721
Molecular FormulaC22H25N3S
Molecular Weight363.53 g/mol
Exact Mass363.18
IUPAC NameN-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine
SMILESCN(Cc1ccccc1)C1(CNCc2nccs2)Cc2ccccc2C1
InChIInChI=1S/C22H25N3S/c1-25(16-18-7-3-2-4-8-18)22(17-23-15-21-24-11-12-26-21)13-19-9-5-6-10-20(19)14-22/h2-12,23H,13-17H2,1H3
InChIKeyPRJVEAFVINLNJQ-UHFFFAOYSA-N
XLogP3.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine?
The IUPAC name of N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine (CID 28768721) is N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine?
The canonical SMILES for N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine is CN(Cc1ccccc1)C1(CNCc2nccs2)Cc2ccccc2C1.
What is the InChIKey of N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine?
The InChIKey is PRJVEAFVINLNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3S/c1-25(16-18-7-3-2-4-8-18)22(17-23-15-21-24-11-12-26-21)13-19-9-5-6-10-20(19)14-22/h2-12,23H,13-17H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine?
N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine has a molecular weight of 363.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(1,3-thiazol-2-ylmethylamino)methyl]-1,3-dihydroinden-2-amine is sourced from PubChem (CID 28768721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).