4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one

C7H9NO2S — CID 90802526

IUPAC4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one
SMILESC/C=C\c1sc(=O)n(C)c1O
InChIInChI=1S/C7H9NO2S/c1-3-4-5-6(9)8(2)7(10)11-5/h3-4,9H,1-2H3/b4-3-
InChIKeySIVMCHLPHCBNJX-ARJAWSKDSA-N
MW171.22 g/mol
LogP1.19
Rot. Bonds1

About 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one

4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one (PubChem CID 90802526) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one
PubChem CID90802526
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one
SMILESC/C=C\c1sc(=O)n(C)c1O
InChIInChI=1S/C7H9NO2S/c1-3-4-5-6(9)8(2)7(10)11-5/h3-4,9H,1-2H3/b4-3-
InChIKeySIVMCHLPHCBNJX-ARJAWSKDSA-N
XLogP1.19
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethenyl-4-hydroxy-3-methyl-1,3-thiazol-2-one
CID 90698986
5-Ethenyl-3-ethyl-4-hydroxy-1,3-thiazol-2-one
CID 91384675

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one (CID 90802526) is 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one is C/C=C\c1sc(=O)n(C)c1O.
What is the InChIKey of 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one?
The InChIKey is SIVMCHLPHCBNJX-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-3-4-5-6(9)8(2)7(10)11-5/h3-4,9H,1-2H3/b4-3-.
What are the key properties of 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one?
4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one has a molecular weight of 171.22 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-5-[(Z)-prop-1-enyl]-1,3-thiazol-2-one is sourced from PubChem (CID 90802526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).