1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one

C21H22FN5O2S — CID 58051134

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1cc(CCC(=O)c2sc(N3CCN(Cc4ccc(F)cc4)C3=O)nc2C)n[nH]1
InChIInChI=1S/C21H22FN5O2S/c1-13-11-17(25-24-13)7-8-18(28)19-14(2)23-20(30-19)27-10-9-26(21(27)29)12-15-3-5-16(22)6-4-15/h3-6,11H,7-10,12H2,1-2H3,(H,24,25)
InChIKeyDKQGGJHWOFCHEQ-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.88
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one

1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58051134) has the molecular formula C21H22FN5O2S and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID58051134
Molecular FormulaC21H22FN5O2S
Molecular Weight427.51 g/mol
Exact Mass427.15
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1cc(CCC(=O)c2sc(N3CCN(Cc4ccc(F)cc4)C3=O)nc2C)n[nH]1
InChIInChI=1S/C21H22FN5O2S/c1-13-11-17(25-24-13)7-8-18(28)19-14(2)23-20(30-19)27-10-9-26(21(27)29)12-15-3-5-16(22)6-4-15/h3-6,11H,7-10,12H2,1-2H3,(H,24,25)
InChIKeyDKQGGJHWOFCHEQ-UHFFFAOYSA-N
XLogP3.88
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58051134) is 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1cc(CCC(=O)c2sc(N3CCN(Cc4ccc(F)cc4)C3=O)nc2C)n[nH]1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is DKQGGJHWOFCHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2S/c1-13-11-17(25-24-13)7-8-18(28)19-14(2)23-20(30-19)27-10-9-26(21(27)29)12-15-3-5-16(22)6-4-15/h3-6,11H,7-10,12H2,1-2H3,(H,24,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 427.51 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-methyl-5-[3-(5-methyl-1H-pyrazol-3-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58051134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).