2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

C15H20N2S — CID 63019615

IUPAC2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCNCC(Cc1ccccc1)Cc1cnc(C)s1
InChIInChI=1S/C15H20N2S/c1-12-17-11-15(18-12)9-14(10-16-2)8-13-6-4-3-5-7-13/h3-7,11,14,16H,8-10H2,1-2H3
InChIKeyVNSYEJJNSYUAPZ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.07
Rot. Bonds6

About 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine

2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 63019615) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID63019615
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCNCC(Cc1ccccc1)Cc1cnc(C)s1
InChIInChI=1S/C15H20N2S/c1-12-17-11-15(18-12)9-14(10-16-2)8-13-6-4-3-5-7-13/h3-7,11,14,16H,8-10H2,1-2H3
InChIKeyVNSYEJJNSYUAPZ-UHFFFAOYSA-N
XLogP3.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-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

2-[(3-bromophenyl)methyl]-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 55143678
2-[(3-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020146
N-[2-[(3-bromophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 63019452
N-ethyl-2-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 63019976
5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2-methyl-1,3-thiazole
CID 66050768
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
2-[(2-chlorophenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)-N-propylpropan-1-amine
CID 63020323
N-[3-(2-methyl-1,3-thiazol-5-yl)-2-phenylpropyl]cyclopropanamine
CID 65431171
2-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 55143101
2-benzyl-N,4-dimethylpentan-1-amine
CID 62529459
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
N-methyl-2-[(4-methylphenyl)methyl]-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644019

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 63019615) is 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is CNCC(Cc1ccccc1)Cc1cnc(C)s1.
What is the InChIKey of 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is VNSYEJJNSYUAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12-17-11-15(18-12)9-14(10-16-2)8-13-6-4-3-5-7-13/h3-7,11,14,16H,8-10H2,1-2H3.
What are the key properties of 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine?
2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 63019615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).