(5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one

C5H8N2O2S — CID 94217975

IUPAC(5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H](CCO)S1
InChIInChI=1S/C5H8N2O2S/c6-5-7-4(9)3(10-5)1-2-8/h3,8H,1-2H2,(H2,6,7,9)/t3-/m1/s1
InChIKeyPCYYUMOYYOGVRP-GSVOUGTGSA-N
MW160.20 g/mol
LogP-0.67
Rot. Bonds2

About (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one

(5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one (PubChem CID 94217975) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one
PubChem CID94217975
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name(5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one
SMILESNC1=NC(=O)[C@@H](CCO)S1
InChIInChI=1S/C5H8N2O2S/c6-5-7-4(9)3(10-5)1-2-8/h3,8H,1-2H2,(H2,6,7,9)/t3-/m1/s1
InChIKeyPCYYUMOYYOGVRP-GSVOUGTGSA-N
XLogP-0.67
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one (CID 94217975) is (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one is NC1=NC(=O)[C@@H](CCO)S1.
What is the InChIKey of (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one?
The InChIKey is PCYYUMOYYOGVRP-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8N2O2S/c6-5-7-4(9)3(10-5)1-2-8/h3,8H,1-2H2,(H2,6,7,9)/t3-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one?
(5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one has a molecular weight of 160.20 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-hydroxyethyl)-1,3-thiazol-4-one is sourced from PubChem (CID 94217975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).