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

C5H8N2S — CID 82418739

IUPAC(1S)-1-(1,2-thiazol-3-yl)ethanamine
SMILESC[C@H](N)c1ccsn1
InChIInChI=1S/C5H8N2S/c1-4(6)5-2-3-8-7-5/h2-4H,6H2,1H3/t4-/m0/s1
InChIKeyMPMQSUBEVORKSM-BYPYZUCNSA-N
MW128.20 g/mol
LogP1.16
Rot. Bonds1

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

(1S)-1-(1,2-thiazol-3-yl)ethanamine (PubChem CID 82418739) has the molecular formula C5H8N2S and a molecular weight of 128.20 g/mol. Its IUPAC name is (1S)-1-(1,2-thiazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,2-thiazol-3-yl)ethanamine
PubChem CID82418739
Molecular FormulaC5H8N2S
Molecular Weight128.20 g/mol
Exact Mass128.04
IUPAC Name(1S)-1-(1,2-thiazol-3-yl)ethanamine
SMILESC[C@H](N)c1ccsn1
InChIInChI=1S/C5H8N2S/c1-4(6)5-2-3-8-7-5/h2-4H,6H2,1H3/t4-/m0/s1
InChIKeyMPMQSUBEVORKSM-BYPYZUCNSA-N
XLogP1.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,2-thiazol-3-yl)ethanamine?
The IUPAC name of (1S)-1-(1,2-thiazol-3-yl)ethanamine (CID 82418739) is (1S)-1-(1,2-thiazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,2-thiazol-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,2-thiazol-3-yl)ethanamine is C[C@H](N)c1ccsn1.
What is the InChIKey of (1S)-1-(1,2-thiazol-3-yl)ethanamine?
The InChIKey is MPMQSUBEVORKSM-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8N2S/c1-4(6)5-2-3-8-7-5/h2-4H,6H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(1,2-thiazol-3-yl)ethanamine?
(1S)-1-(1,2-thiazol-3-yl)ethanamine has a molecular weight of 128.20 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,2-thiazol-3-yl)ethanamine is sourced from PubChem (CID 82418739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).