2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide

C24H25F4N3OS — CID 25094789

IUPAC2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(CCc1ccc(C(F)(F)F)cc1)c1sc(C)nc1C)c1ccc(F)cc1
InChIInChI=1S/C24H25F4N3OS/c1-14-22(33-15(2)30-14)20(13-6-16-4-9-18(10-5-16)24(26,27)28)31-21(23(32)29-3)17-7-11-19(25)12-8-17/h4-5,7-12,20-21,31H,6,13H2,1-3H3,(H,29,32)
InChIKeyCGFYMKGPPSSQIZ-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.67
Rot. Bonds8

About 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide

2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide (PubChem CID 25094789) has the molecular formula C24H25F4N3OS and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
PubChem CID25094789
Molecular FormulaC24H25F4N3OS
Molecular Weight479.54 g/mol
Exact Mass479.17
IUPAC Name2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide
SMILESCNC(=O)C(NC(CCc1ccc(C(F)(F)F)cc1)c1sc(C)nc1C)c1ccc(F)cc1
InChIInChI=1S/C24H25F4N3OS/c1-14-22(33-15(2)30-14)20(13-6-16-4-9-18(10-5-16)24(26,27)28)31-21(23(32)29-3)17-7-11-19(25)12-8-17/h4-5,7-12,20-21,31H,6,13H2,1-3H3,(H,29,32)
InChIKeyCGFYMKGPPSSQIZ-UHFFFAOYSA-N
XLogP5.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide?
The IUPAC name of 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide (CID 25094789) is 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide?
The canonical SMILES for 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide is CNC(=O)C(NC(CCc1ccc(C(F)(F)F)cc1)c1sc(C)nc1C)c1ccc(F)cc1.
What is the InChIKey of 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide?
The InChIKey is CGFYMKGPPSSQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F4N3OS/c1-14-22(33-15(2)30-14)20(13-6-16-4-9-18(10-5-16)24(26,27)28)31-21(23(32)29-3)17-7-11-19(25)12-8-17/h4-5,7-12,20-21,31H,6,13H2,1-3H3,(H,29,32).
What are the key properties of 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide?
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide has a molecular weight of 479.54 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-(4-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 25094789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).