3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one

C5H8N2O2S — CID 54477865

IUPAC3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one
SMILESNCCn1c(O)csc1=O
InChIInChI=1S/C5H8N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,1-2,6H2
InChIKeyXMVXRQUIXBCBME-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.43
Rot. Bonds2

About 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one

3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one (PubChem CID 54477865) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one
PubChem CID54477865
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one
SMILESNCCn1c(O)csc1=O
InChIInChI=1S/C5H8N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,1-2,6H2
InChIKeyXMVXRQUIXBCBME-UHFFFAOYSA-N
XLogP-0.43
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-Aminoethyl)-2,3-dihydro-1,3-thiazol-2-one
CID 63312349
4-Hydroxy-3-[2-(methylamino)ethyl]-1,3-thiazol-2-one
CID 90935715
3-[2-(Dimethylamino)ethyl]-4-hydroxy-1,3-thiazol-2-one
CID 123700873
3-(2-Aminoethyl)-2,3-dihydro-1,3-thiazol-2-one hydrochloride
CID 122163880

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one (CID 54477865) is 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one is NCCn1c(O)csc1=O.
What is the InChIKey of 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is XMVXRQUIXBCBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c6-1-2-7-4(8)3-10-5(7)9/h3,8H,1-2,6H2.
What are the key properties of 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one?
3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 160.20 g/mol, XLogP of -0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 54477865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).