5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

C20H25F3N2O2S — CID 44526218

IUPAC5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)sc1C(C)C
InChIInChI=1S/C20H25F3N2O2S/c1-12(2)17-16(18(26)24-9-6-10-27-13(3)4)25-19(28-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,24,26)
InChIKeyPPUSPCJZDIQZDX-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.50
Rot. Bonds8

About 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 44526218) has the molecular formula C20H25F3N2O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID44526218
Molecular FormulaC20H25F3N2O2S
Molecular Weight414.49 g/mol
Exact Mass414.16
IUPAC Name5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)OCCCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)sc1C(C)C
InChIInChI=1S/C20H25F3N2O2S/c1-12(2)17-16(18(26)24-9-6-10-27-13(3)4)25-19(28-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,24,26)
InChIKeyPPUSPCJZDIQZDX-UHFFFAOYSA-N
XLogP5.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-yl-1,3-thiazole-4-carboxamide
CID 44526063
2-(4-tert-butylphenyl)-5-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 44526064
N-[(2,4-Difluorophenyl)methyl]-2-{7-methyl-4-oxo-2-phenyl-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL}acetamide
CID 71840040
N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-3,5-dimethylbenzamide
CID 7503023
N-(2-Methoxyethyl)-2-{7-methyl-4-oxo-2-phenyl-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL}acetamide
CID 71840049
2,6-difluoro-N-{2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl}benzamide
CID 6624156
N-{2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl}-3-(trifluoromethyl)benzamide
CID 7222778
N-(3-Ethoxypropyl)-2-{1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-YL}acetamide
CID 53103695
2-{1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-YL}-N-(3-methoxypropyl)acetamide
CID 53103698
2-{1-[2-(4-Fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-YL}-N-(3-methoxypropyl)propanamide
CID 53103726
N-[2-[1-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylamino]-2-oxoethyl]propanamide
CID 53614815
N-[(2,5-Difluorophenyl)methyl]-2-[7-methyl-4-oxo-2-(propan-2-YL)-4H,5H-[1,3]thiazolo[4,5-D]pyridazin-5-YL]acetamide
CID 71840096

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide (CID 44526218) is 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is CC(C)OCCCNC(=O)c1nc(-c2cccc(C(F)(F)F)c2)sc1C(C)C.
What is the InChIKey of 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PPUSPCJZDIQZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N2O2S/c1-12(2)17-16(18(26)24-9-6-10-27-13(3)4)25-19(28-17)14-7-5-8-15(11-14)20(21,22)23/h5,7-8,11-13H,6,9-10H2,1-4H3,(H,24,26).
What are the key properties of 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide?
5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(3-propan-2-yloxypropyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 44526218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).