2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

C16H16FN3O3S — CID 66661380

IUPAC2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2C(=O)N(Cc3ccc(F)cc3)CC2C)sc1C(=O)O
InChIInChI=1S/C16H16FN3O3S/c1-9-7-19(8-11-3-5-12(17)6-4-11)16(23)20(9)15-18-10(2)13(24-15)14(21)22/h3-6,9H,7-8H2,1-2H3,(H,21,22)
InChIKeyXSYZMTZQILMEPU-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.12
Rot. Bonds4

About 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 66661380) has the molecular formula C16H16FN3O3S and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID66661380
Molecular FormulaC16H16FN3O3S
Molecular Weight349.39 g/mol
Exact Mass349.09
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(N2C(=O)N(Cc3ccc(F)cc3)CC2C)sc1C(=O)O
InChIInChI=1S/C16H16FN3O3S/c1-9-7-19(8-11-3-5-12(17)6-4-11)16(23)20(9)15-18-10(2)13(24-15)14(21)22/h3-6,9H,7-8H2,1-2H3,(H,21,22)
InChIKeyXSYZMTZQILMEPU-UHFFFAOYSA-N
XLogP3.12
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid with MolForge

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Related Compounds

N-(2,3-dihydropyridin-2-ylmethyl)-2-[(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 163734133
N-benzyl-2-[3-(4-fluorophenyl)-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 58031500
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481201
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-(pyrimidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59481213
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
4-methyl-2-(4-methyl-2-oxoimidazolidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 66661593
2-(4-benzyl-2-oxoimidazolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 59481304
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 59481197
4-methyl-2-(2-methyl-3-oxopiperazin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 80570135
3-[(4-fluorophenyl)methyl]-4-methyl-2-oxo-1,3-thiazole-5-carboxylic acid
CID 82225317
2-[3-(2,1,3-benzoxadiazol-5-ylmethyl)-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58031393
2-(2-ethyl-5-methylpyrrolidin-1-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83221733

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 66661380) is 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(N2C(=O)N(Cc3ccc(F)cc3)CC2C)sc1C(=O)O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is XSYZMTZQILMEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3S/c1-9-7-19(8-11-3-5-12(17)6-4-11)16(23)20(9)15-18-10(2)13(24-15)14(21)22/h3-6,9H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 349.39 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-5-methyl-2-oxoimidazolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66661380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).