4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one

C9H13NOS — CID 130652038

IUPAC4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one
SMILESC=C(C)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C9H13NOS/c1-6(2)5-10-7(3)8(4)12-9(10)11/h1,5H2,2-4H3
InChIKeyUPQBLWLXAZUMTC-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.10
Rot. Bonds2

About 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one

4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one (PubChem CID 130652038) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one
PubChem CID130652038
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one
SMILESC=C(C)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C9H13NOS/c1-6(2)5-10-7(3)8(4)12-9(10)11/h1,5H2,2-4H3
InChIKeyUPQBLWLXAZUMTC-UHFFFAOYSA-N
XLogP2.10
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one (CID 130652038) is 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one is C=C(C)Cn1c(C)c(C)sc1=O.
What is the InChIKey of 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one?
The InChIKey is UPQBLWLXAZUMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-6(2)5-10-7(3)8(4)12-9(10)11/h1,5H2,2-4H3.
What are the key properties of 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one?
4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one has a molecular weight of 183.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-(2-methylprop-2-enyl)-1,3-thiazol-2-one is sourced from PubChem (CID 130652038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).