4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one

C6H7NO3S — CID 54224698

IUPAC4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one
SMILESC=CCn1c(O)c(O)sc1=O
InChIInChI=1S/C6H7NO3S/c1-2-3-7-4(8)5(9)11-6(7)10/h2,8-9H,1,3H2
InChIKeyQFAQIFDAVCYEGO-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.51
Rot. Bonds2

About 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one

4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one (PubChem CID 54224698) has the molecular formula C6H7NO3S and a molecular weight of 173.19 g/mol. Its IUPAC name is 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one
PubChem CID54224698
Molecular FormulaC6H7NO3S
Molecular Weight173.19 g/mol
Exact Mass173.01
IUPAC Name4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one
SMILESC=CCn1c(O)c(O)sc1=O
InChIInChI=1S/C6H7NO3S/c1-2-3-7-4(8)5(9)11-6(7)10/h2,8-9H,1,3H2
InChIKeyQFAQIFDAVCYEGO-UHFFFAOYSA-N
XLogP0.51
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-5-[(4-methylphenyl)iminomethyl]-3-prop-2-enyl-1,3-thiazol-2-one
CID 135941305
1-[2-hydroxy-3-[3-[2-hydroxy-3-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]propyl]-2,4,6-trioxo-5-prop-2-enyl-1,3,5-triazinan-1-yl]propyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 59348433
1-hydroxy-2-prop-2-enylisoquinolin-3-one
CID 57024926
1,3,5,6-tetramethyl-2-prop-2-enylisoindole-4,7-dione
CID 67612075
2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone
CID 15185493
1-(fluoromethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 176847513
1,3-diethyl-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 23042184
2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 15185490
1,3-diamino-5-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
CID 139913241
1,3-bis(prop-2-enyl)-1,3-diazetidine-2,4-dione
CID 15620660
1-(2-hydroxypropyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 70008029
N-(2-oxo-3-prop-2-enyl-1,3-benzothiazol-6-yl)cyclopropanecarboxamide
CID 46352480

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one?
The IUPAC name of 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one (CID 54224698) is 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one is C=CCn1c(O)c(O)sc1=O.
What is the InChIKey of 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one?
The InChIKey is QFAQIFDAVCYEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S/c1-2-3-7-4(8)5(9)11-6(7)10/h2,8-9H,1,3H2.
What are the key properties of 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one?
4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one has a molecular weight of 173.19 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroxy-3-prop-2-enyl-1,3-thiazol-2-one is sourced from PubChem (CID 54224698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).