5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

C21H23F3N4O5S — CID 173136924

IUPAC5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)sc1CCCN1CCCC1=O
InChIInChI=1S/C21H23F3N4O5S/c22-21(23,24)33-14-7-5-13(6-8-14)32-12-16(29)26-11-17-27-19(20(25)31)15(34-17)3-1-9-28-10-2-4-18(28)30/h5-8H,1-4,9-12H2,(H2,25,31)(H,26,29)
InChIKeyJCROAMNXRAAVTH-UHFFFAOYSA-N
MW500.50 g/mol
LogP2.39
Rot. Bonds11

About 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide

5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 173136924) has the molecular formula C21H23F3N4O5S and a molecular weight of 500.50 g/mol. Its IUPAC name is 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
PubChem CID173136924
Molecular FormulaC21H23F3N4O5S
Molecular Weight500.50 g/mol
Exact Mass500.13
IUPAC Name5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)sc1CCCN1CCCC1=O
InChIInChI=1S/C21H23F3N4O5S/c22-21(23,24)33-14-7-5-13(6-8-14)32-12-16(29)26-11-17-27-19(20(25)31)15(34-17)3-1-9-28-10-2-4-18(28)30/h5-8H,1-4,9-12H2,(H2,25,31)(H,26,29)
InChIKeyJCROAMNXRAAVTH-UHFFFAOYSA-N
XLogP2.39
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062272
5-[(2S)-2-phenylpropyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 173062397
2-(4-formylphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 78788687
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 47015050
N-[(1S)-1-cyclohexylethyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120882
5-(2-phenylethyl)-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 173062314
N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838331
5-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403164
N-[3-(2-oxoazepan-1-yl)propyl]-2-(4-propanoylphenoxy)acetamide
CID 8916560
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
N-[[4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-1,3-thiazol-2-yl]methyl]-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 91036015
N-[(3,5-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120876

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide (CID 173136924) is 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is NC(=O)c1nc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)sc1CCCN1CCCC1=O.
What is the InChIKey of 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is JCROAMNXRAAVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O5S/c22-21(23,24)33-14-7-5-13(6-8-14)32-12-16(29)26-11-17-27-19(20(25)31)15(34-17)3-1-9-28-10-2-4-18(28)30/h5-8H,1-4,9-12H2,(H2,25,31)(H,26,29).
What are the key properties of 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide?
5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 500.50 g/mol, XLogP of 2.39, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 173136924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).