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

C17H24N2S — CID 82428035

IUPACN-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1sc(CCc2ccccc2)nc1C
InChIInChI=1S/C17H24N2S/c1-3-4-12-18-13-16-14(2)19-17(20-16)11-10-15-8-6-5-7-9-15/h5-9,18H,3-4,10-13H2,1-2H3
InChIKeyOHVGBNBJPYLDFD-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.13
Rot. Bonds8

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

N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine (PubChem CID 82428035) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
PubChem CID82428035
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
SMILESCCCCNCc1sc(CCc2ccccc2)nc1C
InChIInChI=1S/C17H24N2S/c1-3-4-12-18-13-16-14(2)19-17(20-16)11-10-15-8-6-5-7-9-15/h5-9,18H,3-4,10-13H2,1-2H3
InChIKeyOHVGBNBJPYLDFD-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.13
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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropan-1-amine
CID 64541630
N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402342
N-[[4-methyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82426303
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82431139
N-[[2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62403730
azane;N-benzylbutan-1-amine
CID 175388745
N-[(2-phenyl-4-propan-2-yl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82433713
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
CID 110421328
N-[[4-ethyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 82431144
N-[[4-methyl-2-(2-phenylpropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63086416
N-[[2-[(3,4-dimethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62904386

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The IUPAC name of N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine (CID 82428035) is N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine.
What is the SMILES notation for N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The canonical SMILES for N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine is CCCCNCc1sc(CCc2ccccc2)nc1C.
What is the InChIKey of N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
The InChIKey is OHVGBNBJPYLDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-3-4-12-18-13-16-14(2)19-17(20-16)11-10-15-8-6-5-7-9-15/h5-9,18H,3-4,10-13H2,1-2H3.
What are the key properties of N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine?
N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine is sourced from PubChem (CID 82428035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).