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

C18H18FN5OS — CID 69012100

IUPAC5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1cc(-c2sc(N3C(=O)NCC3Cc3ccc(F)cc3)nc2C)n[nH]1
InChIInChI=1S/C18H18FN5OS/c1-10-7-15(23-22-10)16-11(2)21-18(26-16)24-14(9-20-17(24)25)8-12-3-5-13(19)6-4-12/h3-7,14H,8-9H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyVSUALZQVAAYVHM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.43
Rot. Bonds4

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

5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 69012100) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID69012100
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC Name5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1cc(-c2sc(N3C(=O)NCC3Cc3ccc(F)cc3)nc2C)n[nH]1
InChIInChI=1S/C18H18FN5OS/c1-10-7-15(23-22-10)16-11(2)21-18(26-16)24-14(9-20-17(24)25)8-12-3-5-13(19)6-4-12/h3-7,14H,8-9H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyVSUALZQVAAYVHM-UHFFFAOYSA-N
XLogP3.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one (CID 69012100) is 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1cc(-c2sc(N3C(=O)NCC3Cc3ccc(F)cc3)nc2C)n[nH]1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is VSUALZQVAAYVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c1-10-7-15(23-22-10)16-11(2)21-18(26-16)24-14(9-20-17(24)25)8-12-3-5-13(19)6-4-12/h3-7,14H,8-9H2,1-2H3,(H,20,25)(H,22,23).
What are the key properties of 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one?
5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 371.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-1-[4-methyl-5-(5-methyl-1H-pyrazol-3-yl)-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 69012100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).