3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one

C8H14N2O2S — CID 63312884

IUPAC3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one
SMILESCCNCC(O)Cn1ccsc1=O
InChIInChI=1S/C8H14N2O2S/c1-2-9-5-7(11)6-10-3-4-13-8(10)12/h3-4,7,9,11H,2,5-6H2,1H3
InChIKeyADDYKXUDEMODKS-UHFFFAOYSA-N
MW202.28 g/mol
LogP-0.12
Rot. Bonds5

About 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one

3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one (PubChem CID 63312884) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one
PubChem CID63312884
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one
SMILESCCNCC(O)Cn1ccsc1=O
InChIInChI=1S/C8H14N2O2S/c1-2-9-5-7(11)6-10-3-4-13-8(10)12/h3-4,7,9,11H,2,5-6H2,1H3
InChIKeyADDYKXUDEMODKS-UHFFFAOYSA-N
XLogP-0.12
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one?
The IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one (CID 63312884) is 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one.
What is the SMILES notation for 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one?
The canonical SMILES for 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one is CCNCC(O)Cn1ccsc1=O.
What is the InChIKey of 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one?
The InChIKey is ADDYKXUDEMODKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-2-9-5-7(11)6-10-3-4-13-8(10)12/h3-4,7,9,11H,2,5-6H2,1H3.
What are the key properties of 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one?
3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one has a molecular weight of 202.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazol-2-one is sourced from PubChem (CID 63312884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).