3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one

C9H14N2OS — CID 103072422

IUPAC3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESC=C(CN)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C9H14N2OS/c1-6(4-10)5-11-7(2)8(3)13-9(11)12/h1,4-5,10H2,2-3H3
InChIKeyZHAMNWACRHSJBM-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.04
Rot. Bonds3

About 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one

3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 103072422) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID103072422
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESC=C(CN)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C9H14N2OS/c1-6(4-10)5-11-7(2)8(3)13-9(11)12/h1,4-5,10H2,2-3H3
InChIKeyZHAMNWACRHSJBM-UHFFFAOYSA-N
XLogP1.04
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.04
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-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 103072422) is 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one is C=C(CN)Cn1c(C)c(C)sc1=O.
What is the InChIKey of 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is ZHAMNWACRHSJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(4-10)5-11-7(2)8(3)13-9(11)12/h1,4-5,10H2,2-3H3.
What are the key properties of 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 103072422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).