3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one

C6H10N2O2S — CID 63312881

IUPAC3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one
SMILESNCC(O)Cn1ccsc1=O
InChIInChI=1S/C6H10N2O2S/c7-3-5(9)4-8-1-2-11-6(8)10/h1-2,5,9H,3-4,7H2
InChIKeyNLNVZHUPHOGITP-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.77
Rot. Bonds3

About 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one

3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one (PubChem CID 63312881) has the molecular formula C6H10N2O2S and a molecular weight of 174.23 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one
PubChem CID63312881
Molecular FormulaC6H10N2O2S
Molecular Weight174.23 g/mol
Exact Mass174.05
IUPAC Name3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one
SMILESNCC(O)Cn1ccsc1=O
InChIInChI=1S/C6H10N2O2S/c7-3-5(9)4-8-1-2-11-6(8)10/h1-2,5,9H,3-4,7H2
InChIKeyNLNVZHUPHOGITP-UHFFFAOYSA-N
XLogP-0.77
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one (CID 63312881) is 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one is NCC(O)Cn1ccsc1=O.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one?
The InChIKey is NLNVZHUPHOGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S/c7-3-5(9)4-8-1-2-11-6(8)10/h1-2,5,9H,3-4,7H2.
What are the key properties of 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one?
3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one has a molecular weight of 174.23 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxypropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 63312881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).