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

C10H16N2OS — CID 103072424

IUPAC4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one
SMILESC=C(CNC)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C10H16N2OS/c1-7(5-11-4)6-12-8(2)9(3)14-10(12)13/h11H,1,5-6H2,2-4H3
InChIKeySBBPBYVWYFRITD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.30
Rot. Bonds4

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

4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one (PubChem CID 103072424) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one.

Molecular Properties

Compound Name4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one
PubChem CID103072424
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one
SMILESC=C(CNC)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C10H16N2OS/c1-7(5-11-4)6-12-8(2)9(3)14-10(12)13/h11H,1,5-6H2,2-4H3
InChIKeySBBPBYVWYFRITD-UHFFFAOYSA-N
XLogP1.30
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Tert-butylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310491
4,5-Dimethyl-3-[3-(methylamino)propyl]-1,3-thiazol-2-one
CID 63310526
4,5-Dimethyl-3-[3-(propylamino)propyl]-1,3-thiazol-2-one
CID 63310527
3-[3-(Ethylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63310528
4,5-Dimethyl-3-[3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
CID 63312527
4,5-Dimethyl-3-[2-methyl-3-(propylamino)propyl]-1,3-thiazol-2-one
CID 64229956
3-(3-Amino-2-methylpropyl)-4,5-dimethyl-1,3-thiazol-2-one
CID 64229957
4,5-Dimethyl-3-[2-methyl-3-(methylamino)propyl]-1,3-thiazol-2-one
CID 64229958
4,5-Dimethyl-3-[2-methyl-3-(propan-2-ylamino)propyl]-1,3-thiazol-2-one
CID 64230172
3-[3-(Ethylamino)-2-methylpropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 64230173
3-[3-(Tert-butylamino)-2-methylpropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 64230174
5-(Aminomethyl)-4-methyl-3-propyl-1,3-thiazol-2-one
CID 82504320

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one?
The IUPAC name of 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one (CID 103072424) is 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one.
What is the SMILES notation for 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one?
The canonical SMILES for 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one is C=C(CNC)Cn1c(C)c(C)sc1=O.
What is the InChIKey of 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one?
The InChIKey is SBBPBYVWYFRITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(5-11-4)6-12-8(2)9(3)14-10(12)13/h11H,1,5-6H2,2-4H3.
What are the key properties of 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one?
4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-[2-(methylaminomethyl)prop-2-enyl]-1,3-thiazol-2-one is sourced from PubChem (CID 103072424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).