(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol

C5H8N2OS — CID 96733513

IUPAC(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
SMILESN[C@@H](CO)c1nccs1
InChIInChI=1S/C5H8N2OS/c6-4(3-8)5-7-1-2-9-5/h1-2,4,8H,3,6H2/t4-/m0/s1
InChIKeyPQHIWASNKXZJSS-BYPYZUCNSA-N
MW144.20 g/mol
LogP0.14
Rot. Bonds2

About (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol

(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 96733513) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
PubChem CID96733513
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
SMILESN[C@@H](CO)c1nccs1
InChIInChI=1S/C5H8N2OS/c6-4(3-8)5-7-1-2-9-5/h1-2,4,8H,3,6H2/t4-/m0/s1
InChIKeyPQHIWASNKXZJSS-BYPYZUCNSA-N
XLogP0.14
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
4-amino-4-(1,3-thiazol-2-yl)butanoic acid
CID 82602307
2-(1,3-thiazol-2-yl)butan-1-ol
CID 116987101
(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethanamine
CID 10375649
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine
CID 143542329
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
1-(1,3-thiazol-2-yl)butane-1,2,4-triol
CID 171871689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol (CID 96733513) is (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol is N[C@@H](CO)c1nccs1.
What is the InChIKey of (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is PQHIWASNKXZJSS-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8N2OS/c6-4(3-8)5-7-1-2-9-5/h1-2,4,8H,3,6H2/t4-/m0/s1.
What are the key properties of (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol?
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 144.20 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 96733513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).