3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one

C8H10ClNOS — CID 103065710

IUPAC3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one
SMILESC=C(CCl)Cn1c(C)csc1=O
InChIInChI=1S/C8H10ClNOS/c1-6(3-9)4-10-7(2)5-12-8(10)11/h5H,1,3-4H2,2H3
InChIKeyILKZKPRXVMUMFO-UHFFFAOYSA-N
MW203.69 g/mol
LogP2.01
Rot. Bonds3

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

3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 103065710) has the molecular formula C8H10ClNOS and a molecular weight of 203.69 g/mol. Its IUPAC name is 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one
PubChem CID103065710
Molecular FormulaC8H10ClNOS
Molecular Weight203.69 g/mol
Exact Mass203.02
IUPAC Name3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one
SMILESC=C(CCl)Cn1c(C)csc1=O
InChIInChI=1S/C8H10ClNOS/c1-6(3-9)4-10-7(2)5-12-8(10)11/h5H,1,3-4H2,2H3
InChIKeyILKZKPRXVMUMFO-UHFFFAOYSA-N
XLogP2.01
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one (CID 103065710) is 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one is C=C(CCl)Cn1c(C)csc1=O.
What is the InChIKey of 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is ILKZKPRXVMUMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNOS/c1-6(3-9)4-10-7(2)5-12-8(10)11/h5H,1,3-4H2,2H3.
What are the key properties of 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 203.69 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 103065710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).