N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C14H18N2S — CID 62069766

IUPACN-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ccccc1CNCCc1scnc1C
InChIInChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)9-15-8-7-14-12(2)16-10-17-14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyPRWQRPCHHFLTFC-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.09
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 62069766) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID62069766
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ccccc1CNCCc1scnc1C
InChIInChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)9-15-8-7-14-12(2)16-10-17-14/h3-6,10,15H,7-9H2,1-2H3
InChIKeyPRWQRPCHHFLTFC-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine 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

US11608337, Example 32
CID 132085789
(4-(4-Methyl-1,3-thiazol-5-yl)phenyl)methanamine
CID 89689879
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]acetamide
CID 76324807
(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
(4-Methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
(S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethanamine
CID 122423107
4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-methyl-, monohydrochloride, (Z)-
CID 6434476
4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-4-(3-(dimethylamino)propylidene)-2-methyl-, monohydrochloride, (E)-
CID 6434478
4H-Benzo(5,6)cyclohepta(1,2-d)thiazole, 9,10-dihydro-2-methyl-4-(3-(methylamino)propylidene)-
CID 6435608
5-Thiazoleethanamine, 4-methyl-N-(1-methyl-2-phenylethyl)-, monohydrochloride
CID 11971059
2-(5-Methyl-4-phenyl-1,3-thiazol-2-yl)ethan-1-amine dihydrochloride
CID 54595017
[4-(4-Methyl-1,3-thiazol-5-yl)phenyl]methanamine dihydrochloride
CID 126766938

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 62069766) is N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ccccc1CNCCc1scnc1C.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is PRWQRPCHHFLTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-5-3-4-6-13(11)9-15-8-7-14-12(2)16-10-17-14/h3-6,10,15H,7-9H2,1-2H3.
What are the key properties of N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 246.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 62069766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).