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

C6H9NO3S — CID 90890943

IUPAC4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCCO
InChIInChI=1S/C6H9NO3S/c8-3-1-2-7-5(9)4-11-6(7)10/h4,8-9H,1-3H2
InChIKeyTUKSACYOVLEQDI-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.00
Rot. Bonds3

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

4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one (PubChem CID 90890943) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one
PubChem CID90890943
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one
SMILESO=c1scc(O)n1CCCO
InChIInChI=1S/C6H9NO3S/c8-3-1-2-7-5(9)4-11-6(7)10/h4,8-9H,1-3H2
InChIKeyTUKSACYOVLEQDI-UHFFFAOYSA-N
XLogP-0.00
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-Hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
CID 54426525
4-Hydroxy-3-propyl-1,3-thiazol-2-one
CID 123136344
3-(3-Hydroxypropyl)-4-methyl-1,3-thiazol-2-one
CID 43509712
3-(4-Hydroxybutyl)-1,3-thiazol-2-one
CID 63312362
3-(3-Hydroxypropyl)-1,3-thiazol-2-one
CID 63312364
3-(3-Hydroxybutyl)-1,3-thiazol-2-one
CID 104318525
3-(3-Hydroxy-2-methylpropyl)-1,3-thiazol-2-one
CID 115871069

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one (CID 90890943) is 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one is O=c1scc(O)n1CCCO.
What is the InChIKey of 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one?
The InChIKey is TUKSACYOVLEQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c8-3-1-2-7-5(9)4-11-6(7)10/h4,8-9H,1-3H2.
What are the key properties of 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one?
4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one has a molecular weight of 175.21 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(3-hydroxypropyl)-1,3-thiazol-2-one is sourced from PubChem (CID 90890943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).