1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

C13H16N2S — CID 61285407

IUPAC1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1nccs1)c1ccccc1
InChIInChI=1S/C13H16N2S/c1-2-12(11-6-4-3-5-7-11)15-10-13-14-8-9-16-13/h3-9,12,15H,2,10H2,1H3
InChIKeyILUOXUZOCMOWIO-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.38
Rot. Bonds5

About 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine

1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (PubChem CID 61285407) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
PubChem CID61285407
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
SMILESCCC(NCc1nccs1)c1ccccc1
InChIInChI=1S/C13H16N2S/c1-2-12(11-6-4-3-5-7-11)15-10-13-14-8-9-16-13/h3-9,12,15H,2,10H2,1H3
InChIKeyILUOXUZOCMOWIO-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
N-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
4-[1-[2-(1,3-thiazol-2-yl)ethylamino]propyl]phenol
CID 63242196
3-ethyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 63843307
N-[(5-ethylthiophen-2-yl)methyl]-1-phenylpropan-1-amine
CID 62305737
1-pyridin-4-yl-N-(thiophen-2-ylmethyl)propan-1-amine
CID 115654583
(1S)-1-(3-bromophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81380969
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
2-phenyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 129204775
(1S)-1-pyridin-4-yl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81406357
1-phenyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 62759378
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The IUPAC name of 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine (CID 61285407) is 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The canonical SMILES for 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is CCC(NCc1nccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
The InChIKey is ILUOXUZOCMOWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-12(11-6-4-3-5-7-11)15-10-13-14-8-9-16-13/h3-9,12,15H,2,10H2,1H3.
What are the key properties of 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine?
1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 61285407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).