(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine

C11H12N2S — CID 10198148

IUPAC(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESN[C@@H](Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H12N2S/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7,10H,8,12H2/t10-/m0/s1
InChIKeyADXGZQRJIYRSGK-JTQLQIEISA-N
MW204.30 g/mol
LogP2.39
Rot. Bonds3

About (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine

(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 10198148) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID10198148
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESN[C@@H](Cc1ccccc1)c1nccs1
InChIInChI=1S/C11H12N2S/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7,10H,8,12H2/t10-/m0/s1
InChIKeyADXGZQRJIYRSGK-JTQLQIEISA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine (CID 10198148) is (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine is N[C@@H](Cc1ccccc1)c1nccs1.
What is the InChIKey of (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is ADXGZQRJIYRSGK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2S/c12-10(11-13-6-7-14-11)8-9-4-2-1-3-5-9/h1-7,10H,8,12H2/t10-/m0/s1.
What are the key properties of (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine?
(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 204.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 10198148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).