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

C19H21F3N4O2S — CID 58051116

IUPAC1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
SMILESCc1nc(N2CCN(CCCC(F)(F)F)C2=O)sc1C(=O)CCc1ccncc1
InChIInChI=1S/C19H21F3N4O2S/c1-13-16(15(27)4-3-14-5-8-23-9-6-14)29-17(24-13)26-12-11-25(18(26)28)10-2-7-19(20,21)22/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyUCLULONSSQBYBM-UHFFFAOYSA-N
MW426.46 g/mol
LogP4.25
Rot. Bonds8

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

1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one (PubChem CID 58051116) has the molecular formula C19H21F3N4O2S and a molecular weight of 426.46 g/mol. Its IUPAC name is 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
PubChem CID58051116
Molecular FormulaC19H21F3N4O2S
Molecular Weight426.46 g/mol
Exact Mass426.13
IUPAC Name1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one
SMILESCc1nc(N2CCN(CCCC(F)(F)F)C2=O)sc1C(=O)CCc1ccncc1
InChIInChI=1S/C19H21F3N4O2S/c1-13-16(15(27)4-3-14-5-8-23-9-6-14)29-17(24-13)26-12-11-25(18(26)28)10-2-7-19(20,21)22/h5-6,8-9H,2-4,7,10-12H2,1H3
InChIKeyUCLULONSSQBYBM-UHFFFAOYSA-N
XLogP4.25
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Alpelisib
CID 56649450
(S)-N1-(4-Methyl-5-(2-(1,1,1-trifluoro-2-methylpropan-2-yl)-pyridin-4-yl)thiazol-2-yl)pyrrolidine-1,2-dicarboxamide
CID 75163532
4-fluoro-N-methyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661408
N-ethyl-4-fluoro-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661728
4-fluoro-N-propyl-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 16661729
2-(3-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-2-ylmethyl)thiazole-5-carboxamide
CID 25094875
2-(3-(cyclopropylmethyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25094877
2-(3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl)-4-methyl-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095149
4-methyl-2-(5-oxo-1-(4,4,4-trifluorobutyl)-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-3-ylmethyl)thiazole-5-carboxamide
CID 25095930
2-[1-[1-(4-fluorophenyl)ethyl]-5-oxo-1,2,4-triazol-4-yl]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 44192371
(S)-N1-(5-(2-(Tert-butyl)pyridin-4-YL)-4-methylthiazol-2-YL)pyrrolidine-1,2-dicarboxamide
CID 46932297
(2S,3R)-3-methyl-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)-4-pyridinyl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide
CID 49855001

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The IUPAC name of 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one (CID 58051116) is 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one.
What is the SMILES notation for 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The canonical SMILES for 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one is Cc1nc(N2CCN(CCCC(F)(F)F)C2=O)sc1C(=O)CCc1ccncc1.
What is the InChIKey of 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one?
The InChIKey is UCLULONSSQBYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O2S/c1-13-16(15(27)4-3-14-5-8-23-9-6-14)29-17(24-13)26-12-11-25(18(26)28)10-2-7-19(20,21)22/h5-6,8-9H,2-4,7,10-12H2,1H3.
What are the key properties of 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one?
1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one has a molecular weight of 426.46 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-(3-pyridin-4-ylpropanoyl)-1,3-thiazol-2-yl]-3-(4,4,4-trifluorobutyl)imidazolidin-2-one is sourced from PubChem (CID 58051116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).