1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine

C13H17N3S — CID 66388061

IUPAC1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CNCc2ccccc2)cs1
InChIInChI=1S/C13H17N3S/c1-10(14)13-16-12(9-17-13)8-15-7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8,14H2,1H3
InChIKeyZTXITRILIDDCDX-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.45
Rot. Bonds5

About 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine

1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine (PubChem CID 66388061) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
PubChem CID66388061
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CNCc2ccccc2)cs1
InChIInChI=1S/C13H17N3S/c1-10(14)13-16-12(9-17-13)8-15-7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8,14H2,1H3
InChIKeyZTXITRILIDDCDX-UHFFFAOYSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(furan-2-ylmethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66390753
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
(1R)-1-(4-ethyl-1,3-thiazol-2-yl)ethanamine
CID 42077975
N-[[2-(1-aminoethyl)-1,3-thiazol-4-yl]methyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106293897
1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 87038246
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 82547633
N-[[6-[(benzylamino)methyl]-2-pyridinyl]methyl]-1-phenylmethanamine
CID 11639693
1-[4-[[1-(1,3-thiazol-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66385278
2-amino-N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-phenylacetamide;dihydrochloride
CID 119900104
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-3-phenylpropan-1-one
CID 116585753
N-[[2-[methoxy(phenyl)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116774770
1-(4-ethylphenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]methanamine
CID 103629573

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine (CID 66388061) is 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(CNCc2ccccc2)cs1.
What is the InChIKey of 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
The InChIKey is ZTXITRILIDDCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10(14)13-16-12(9-17-13)8-15-7-11-5-3-2-4-6-11/h2-6,9-10,15H,7-8,14H2,1H3.
What are the key properties of 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine?
1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine has a molecular weight of 247.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(benzylamino)methyl]-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 66388061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).