N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide

C23H26F3N3O3S — CID 21103303

IUPACN-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)CNC(=O)CC1SC(c2cccc(OC(F)(F)F)c2)N(CCc2ccccn2)C1=O
InChIInChI=1S/C23H26F3N3O3S/c1-15(2)14-28-20(30)13-19-21(31)29(11-9-17-7-3-4-10-27-17)22(33-19)16-6-5-8-18(12-16)32-23(24,25)26/h3-8,10,12,15,19,22H,9,11,13-14H2,1-2H3,(H,28,30)
InChIKeyDDHXKYCRGOVETP-UHFFFAOYSA-N
MW481.54 g/mol
LogP4.33
Rot. Bonds9

About N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide

N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 21103303) has the molecular formula C23H26F3N3O3S and a molecular weight of 481.54 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide
PubChem CID21103303
Molecular FormulaC23H26F3N3O3S
Molecular Weight481.54 g/mol
Exact Mass481.16
IUPAC NameN-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide
SMILESCC(C)CNC(=O)CC1SC(c2cccc(OC(F)(F)F)c2)N(CCc2ccccn2)C1=O
InChIInChI=1S/C23H26F3N3O3S/c1-15(2)14-28-20(30)13-19-21(31)29(11-9-17-7-3-4-10-27-17)22(33-19)16-6-5-8-18(12-16)32-23(24,25)26/h3-8,10,12,15,19,22H,9,11,13-14H2,1-2H3,(H,28,30)
InChIKeyDDHXKYCRGOVETP-UHFFFAOYSA-N
XLogP4.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide (CID 21103303) is N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide is CC(C)CNC(=O)CC1SC(c2cccc(OC(F)(F)F)c2)N(CCc2ccccn2)C1=O.
What is the InChIKey of N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is DDHXKYCRGOVETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3S/c1-15(2)14-28-20(30)13-19-21(31)29(11-9-17-7-3-4-10-27-17)22(33-19)16-6-5-8-18(12-16)32-23(24,25)26/h3-8,10,12,15,19,22H,9,11,13-14H2,1-2H3,(H,28,30).
What are the key properties of N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide?
N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 481.54 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[4-oxo-3-(2-pyridin-2-ylethyl)-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 21103303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).