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

C10H16N2OS — CID 103071944

IUPAC3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one
SMILESC=C(CNCC)Cn1c(C)csc1=O
InChIInChI=1S/C10H16N2OS/c1-4-11-5-8(2)6-12-9(3)7-14-10(12)13/h7,11H,2,4-6H2,1,3H3
InChIKeyJJLLQHJSCAFPOD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.38
Rot. Bonds5

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

3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 103071944) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one
PubChem CID103071944
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one
SMILESC=C(CNCC)Cn1c(C)csc1=O
InChIInChI=1S/C10H16N2OS/c1-4-11-5-8(2)6-12-9(3)7-14-10(12)13/h7,11H,2,4-6H2,1,3H3
InChIKeyJJLLQHJSCAFPOD-UHFFFAOYSA-N
XLogP1.38
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one (CID 103071944) is 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one is C=C(CNCC)Cn1c(C)csc1=O.
What is the InChIKey of 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is JJLLQHJSCAFPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-4-11-5-8(2)6-12-9(3)7-14-10(12)13/h7,11H,2,4-6H2,1,3H3.
What are the key properties of 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one?
3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylaminomethyl)prop-2-enyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 103071944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).