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

C12H18N2OS — CID 103072428

IUPAC3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESC=C(CNC1CC1)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C12H18N2OS/c1-8(6-13-11-4-5-11)7-14-9(2)10(3)16-12(14)15/h11,13H,1,4-7H2,2-3H3
InChIKeyLCOWIFLMZIHXBQ-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.83
Rot. Bonds5

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

3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one (PubChem CID 103072428) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
PubChem CID103072428
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
SMILESC=C(CNC1CC1)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C12H18N2OS/c1-8(6-13-11-4-5-11)7-14-9(2)10(3)16-12(14)15/h11,13H,1,4-7H2,2-3H3
InChIKeyLCOWIFLMZIHXBQ-UHFFFAOYSA-N
XLogP1.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.83
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

4,5-dimethyl-3-[2-(sulfanylmethyl)prop-2-enyl]-1,3-thiazol-2-one
CID 103073975
3-[2-(chloromethyl)prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 103065782
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]quinolin-2-one
CID 103072486
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-5-methylazepan-2-one
CID 103072534
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4-propan-2-ylpyrrolidin-2-one
CID 103072989
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,6-dimethylindole-2,3-dione
CID 103072199
3-[2-[3-(cyclopropanecarbonyl)imidazolidin-1-yl]-2-oxoethyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 154783210
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 103071770
N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103070872
5-[2-[(cyclopropylamino)methyl]prop-2-enyl]thieno[3,2-c]pyridin-4-one
CID 103072901
N-[2-[(4-methylphenyl)sulfanylmethyl]prop-2-enyl]cyclopropanamine
CID 103068007

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one (CID 103072428) is 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one is C=C(CNC1CC1)Cn1c(C)c(C)sc1=O.
What is the InChIKey of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one?
The InChIKey is LCOWIFLMZIHXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8(6-13-11-4-5-11)7-14-9(2)10(3)16-12(14)15/h11,13H,1,4-7H2,2-3H3.
What are the key properties of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one?
3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one has a molecular weight of 238.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl]-4,5-dimethyl-1,3-thiazol-2-one is sourced from PubChem (CID 103072428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).