1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one

C23H21F4N5O3S — CID 58051095

IUPAC1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1cnc(CCC(=O)c2sc(N3CCN(Cc4ccc(OC(F)(F)F)c(F)c4)C3=O)nc2C)cn1
InChIInChI=1S/C23H21F4N5O3S/c1-13-10-29-16(11-28-13)4-5-18(33)20-14(2)30-21(36-20)32-8-7-31(22(32)34)12-15-3-6-19(17(24)9-15)35-23(25,26)27/h3,6,9-11H,4-5,7-8,12H2,1-2H3
InChIKeyKLRHOOBPGQLPRE-UHFFFAOYSA-N
MW523.51 g/mol
LogP4.85
Rot. Bonds8

About 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one

1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one (PubChem CID 58051095) has the molecular formula C23H21F4N5O3S and a molecular weight of 523.51 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
PubChem CID58051095
Molecular FormulaC23H21F4N5O3S
Molecular Weight523.51 g/mol
Exact Mass523.13
IUPAC Name1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one
SMILESCc1cnc(CCC(=O)c2sc(N3CCN(Cc4ccc(OC(F)(F)F)c(F)c4)C3=O)nc2C)cn1
InChIInChI=1S/C23H21F4N5O3S/c1-13-10-29-16(11-28-13)4-5-18(33)20-14(2)30-21(36-20)32-8-7-31(22(32)34)12-15-3-6-19(17(24)9-15)35-23(25,26)27/h3,6,9-11H,4-5,7-8,12H2,1-2H3
InChIKeyKLRHOOBPGQLPRE-UHFFFAOYSA-N
XLogP4.85
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The IUPAC name of 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one (CID 58051095) is 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The canonical SMILES for 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one is Cc1cnc(CCC(=O)c2sc(N3CCN(Cc4ccc(OC(F)(F)F)c(F)c4)C3=O)nc2C)cn1.
What is the InChIKey of 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
The InChIKey is KLRHOOBPGQLPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N5O3S/c1-13-10-29-16(11-28-13)4-5-18(33)20-14(2)30-21(36-20)32-8-7-31(22(32)34)12-15-3-6-19(17(24)9-15)35-23(25,26)27/h3,6,9-11H,4-5,7-8,12H2,1-2H3.
What are the key properties of 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one?
1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one has a molecular weight of 523.51 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-[4-methyl-5-[3-(5-methylpyrazin-2-yl)propanoyl]-1,3-thiazol-2-yl]imidazolidin-2-one is sourced from PubChem (CID 58051095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).