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

C12H14N2S — CID 11218246

IUPAC(1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCN[C@@H](Cc1ccccc1)c1nccs1
InChIInChI=1S/C12H14N2S/c1-13-11(12-14-7-8-15-12)9-10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/t11-/m0/s1
InChIKeyYBZXARASAGPNDU-NSHDSACASA-N
MW218.33 g/mol
LogP2.65
Rot. Bonds4

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

(1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 11218246) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID11218246
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name(1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
SMILESCN[C@@H](Cc1ccccc1)c1nccs1
InChIInChI=1S/C12H14N2S/c1-13-11(12-14-7-8-15-12)9-10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/t11-/m0/s1
InChIKeyYBZXARASAGPNDU-NSHDSACASA-N
XLogP2.65
TPSA24.92 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine (CID 11218246) is (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine is CN[C@@H](Cc1ccccc1)c1nccs1.
What is the InChIKey of (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is YBZXARASAGPNDU-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N2S/c1-13-11(12-14-7-8-15-12)9-10-5-3-2-4-6-10/h2-8,11,13H,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine?
(1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 218.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 11218246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).