N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C13H16N2S — CID 62069916

IUPACN-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCNCc1ccccc1
InChIInChI=1S/C13H16N2S/c1-11-13(16-10-15-11)7-8-14-9-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3
InChIKeySIANVHBLINKGAN-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.78
Rot. Bonds5

About N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 62069916) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID62069916
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1ncsc1CCNCc1ccccc1
InChIInChI=1S/C13H16N2S/c1-11-13(16-10-15-11)7-8-14-9-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3
InChIKeySIANVHBLINKGAN-UHFFFAOYSA-N
XLogP2.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62070812
N-[(2-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069766
N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63839651
N-[(3,4-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 55034678
2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 79032805
2-(4-methyl-1,3-thiazol-5-yl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895634
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-phenylaniline
CID 62253869
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110718507
2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
CID 63056921
N-[(2,5-difluorophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 55237246
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylpropan-1-amine
CID 80526694
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 106398362

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 62069916) is N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1ncsc1CCNCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is SIANVHBLINKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-11-13(16-10-15-11)7-8-14-9-12-5-3-2-4-6-12/h2-6,10,14H,7-9H2,1H3.
What are the key properties of N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 232.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 62069916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).