1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one

C19H21F4N5O3S2 — CID 71572340

IUPAC1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one
SMILESCS(=O)(=O)c1ccc(CN2CCN(C3CCN(c4nnc(C(F)(F)F)s4)CC3)C2=O)c(F)c1
InChIInChI=1S/C19H21F4N5O3S2/c1-33(30,31)14-3-2-12(15(20)10-14)11-27-8-9-28(18(27)29)13-4-6-26(7-5-13)17-25-24-16(32-17)19(21,22)23/h2-3,10,13H,4-9,11H2,1H3
InChIKeyVGNZXPMNOPVNMP-UHFFFAOYSA-N
MW507.54 g/mol
LogP3.01
Rot. Bonds5

About 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one

1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 71572340) has the molecular formula C19H21F4N5O3S2 and a molecular weight of 507.54 g/mol. Its IUPAC name is 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one
PubChem CID71572340
Molecular FormulaC19H21F4N5O3S2
Molecular Weight507.54 g/mol
Exact Mass507.10
IUPAC Name1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one
SMILESCS(=O)(=O)c1ccc(CN2CCN(C3CCN(c4nnc(C(F)(F)F)s4)CC3)C2=O)c(F)c1
InChIInChI=1S/C19H21F4N5O3S2/c1-33(30,31)14-3-2-12(15(20)10-14)11-27-8-9-28(18(27)29)13-4-6-26(7-5-13)17-25-24-16(32-17)19(21,22)23/h2-3,10,13H,4-9,11H2,1H3
InChIKeyVGNZXPMNOPVNMP-UHFFFAOYSA-N
XLogP3.01
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.54
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-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-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one (CID 71572340) is 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one is CS(=O)(=O)c1ccc(CN2CCN(C3CCN(c4nnc(C(F)(F)F)s4)CC3)C2=O)c(F)c1.
What is the InChIKey of 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is VGNZXPMNOPVNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N5O3S2/c1-33(30,31)14-3-2-12(15(20)10-14)11-27-8-9-28(18(27)29)13-4-6-26(7-5-13)17-25-24-16(32-17)19(21,22)23/h2-3,10,13H,4-9,11H2,1H3.
What are the key properties of 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one?
1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 507.54 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-methylsulfonylphenyl)methyl]-3-[1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 71572340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).