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

C22H20F2N4O2S — CID 58051133

IUPAC1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)sc1C(=O)CCc1ccccn1
InChIInChI=1S/C22H20F2N4O2S/c1-14-20(19(29)8-6-16-4-2-3-9-25-16)31-21(26-14)28-11-10-27(22(28)30)13-15-5-7-17(23)18(24)12-15/h2-5,7,9,12H,6,8,10-11,13H2,1H3
InChIKeyGBRDRXKHXVSYML-UHFFFAOYSA-N
MW442.49 g/mol
LogP4.38
Rot. Bonds7

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

1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58051133) has the molecular formula C22H20F2N4O2S and a molecular weight of 442.49 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID58051133
Molecular FormulaC22H20F2N4O2S
Molecular Weight442.49 g/mol
Exact Mass442.13
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1nc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)sc1C(=O)CCc1ccccn1
InChIInChI=1S/C22H20F2N4O2S/c1-14-20(19(29)8-6-16-4-2-3-9-25-16)31-21(26-14)28-11-10-27(22(28)30)13-15-5-7-17(23)18(24)12-15/h2-5,7,9,12H,6,8,10-11,13H2,1H3
InChIKeyGBRDRXKHXVSYML-UHFFFAOYSA-N
XLogP4.38
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58051133) is 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1nc(N2CCN(Cc3ccc(F)c(F)c3)C2=O)sc1C(=O)CCc1ccccn1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is GBRDRXKHXVSYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2S/c1-14-20(19(29)8-6-16-4-2-3-9-25-16)31-21(26-14)28-11-10-27(22(28)30)13-15-5-7-17(23)18(24)12-15/h2-5,7,9,12H,6,8,10-11,13H2,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one?
1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 442.49 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-[4-methyl-5-(3-pyridin-2-ylpropanoyl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58051133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).