N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine

C14H18N2S — CID 63281061

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
SMILESCc1ncsc1CNC(C)Cc1ccccc1
InChIInChI=1S/C14H18N2S/c1-11(8-13-6-4-3-5-7-13)15-9-14-12(2)16-10-17-14/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyPLTYVWWBKBZCCJ-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.17
Rot. Bonds5

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine (PubChem CID 63281061) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
PubChem CID63281061
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine
SMILESCc1ncsc1CNC(C)Cc1ccccc1
InChIInChI=1S/C14H18N2S/c1-11(8-13-6-4-3-5-7-13)15-9-14-12(2)16-10-17-14/h3-7,10-11,15H,8-9H2,1-2H3
InChIKeyPLTYVWWBKBZCCJ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-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

Related Compounds

1-(2-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 55170907
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 63280223
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-2-ylethanamine
CID 63280230
(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323
1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115653493
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
1-methylsulfonyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64629765
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
2-[(3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butyl]isoindole-1,3-dione
CID 99855729
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine (CID 63281061) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine is Cc1ncsc1CNC(C)Cc1ccccc1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine?
The InChIKey is PLTYVWWBKBZCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11(8-13-6-4-3-5-7-13)15-9-14-12(2)16-10-17-14/h3-7,10-11,15H,8-9H2,1-2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpropan-2-amine is sourced from PubChem (CID 63281061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).