1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one

C19H22N4O2S — CID 58051068

IUPAC1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESC=CCCN1CCN(c2nc(C)c(C(=O)CCc3cccnc3)s2)C1=O
InChIInChI=1S/C19H22N4O2S/c1-3-4-10-22-11-12-23(19(22)25)18-21-14(2)17(26-18)16(24)8-7-15-6-5-9-20-13-15/h3,5-6,9,13H,1,4,7-8,10-12H2,2H3
InChIKeyVFBKYSHRSDQBEO-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.48
Rot. Bonds8

About 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one

1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58051068) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID58051068
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESC=CCCN1CCN(c2nc(C)c(C(=O)CCc3cccnc3)s2)C1=O
InChIInChI=1S/C19H22N4O2S/c1-3-4-10-22-11-12-23(19(22)25)18-21-14(2)17(26-18)16(24)8-7-15-6-5-9-20-13-15/h3,5-6,9,13H,1,4,7-8,10-12H2,2H3
InChIKeyVFBKYSHRSDQBEO-UHFFFAOYSA-N
XLogP3.48
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(3-phenylpropyl)imidazolidin-2-one
CID 58031631
1-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidin-2-one
CID 58051090
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031474
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031711
1-(cyclopropylmethyl)-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]-1,3-diazinan-2-one
CID 58031436
ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
CID 58031592
1-benzyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)thiophen-2-yl]imidazolidin-2-one
CID 58031677
4-methyl-2-[2-oxo-3-(2-phenylethyl)imidazolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 59481204
3-[[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]methyl]benzoic acid
CID 58031535
1-[4-(4-fluorophenyl)-2-oxobutyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031680
1-[2-(1H-indol-3-yl)ethyl]-3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58031411
1-[(3,5-dichlorophenyl)methyl]-3-[4-methyl-5-[3-(1-methylpyrazol-4-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
CID 58051025

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58051068) is 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is C=CCCN1CCN(c2nc(C)c(C(=O)CCc3cccnc3)s2)C1=O.
What is the InChIKey of 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is VFBKYSHRSDQBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-3-4-10-22-11-12-23(19(22)25)18-21-14(2)17(26-18)16(24)8-7-15-6-5-9-20-13-15/h3,5-6,9,13H,1,4,7-8,10-12H2,2H3.
What are the key properties of 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 370.48 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-3-[4-methyl-5-(3-pyridin-3-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58051068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).