3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine

C12H14N2S — CID 83977590

IUPAC3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESNCC(Cc1ccccc1)c1nccs1
InChIInChI=1S/C12H14N2S/c13-9-11(12-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-7,11H,8-9,13H2
InChIKeyPAIPKYOWMZNLIX-UHFFFAOYSA-N
MW218.33 g/mol
LogP2.43
Rot. Bonds4

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

3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 83977590) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID83977590
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESNCC(Cc1ccccc1)c1nccs1
InChIInChI=1S/C12H14N2S/c13-9-11(12-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-7,11H,8-9,13H2
InChIKeyPAIPKYOWMZNLIX-UHFFFAOYSA-N
XLogP2.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylphenyl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977512
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanol
CID 154527868
3-[4-[(2-methylphenyl)methoxy]phenyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977582
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
(1R)-2-amino-3-phenyl-1-(1,3-thiazol-2-yl)propan-1-ol
CID 70041725
[(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid
CID 174840425
3-(2-methyl-1H-indol-3-yl)-2-(1,3-thiazol-2-yl)propan-1-amine
CID 83977589
N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 61335195
4-(4-hydroxyphenyl)-3-(1,3-thiazol-2-yl)butanoic acid
CID 54127958
(1R)-4-phenyl-1-(1,3-thiazol-2-yl)butan-1-ol
CID 174457838
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine (CID 83977590) is 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine is NCC(Cc1ccccc1)c1nccs1.
What is the InChIKey of 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is PAIPKYOWMZNLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c13-9-11(12-14-6-7-15-12)8-10-4-2-1-3-5-10/h1-7,11H,8-9,13H2.
What are the key properties of 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine?
3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 218.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 83977590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).