N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

C23H30F3N3O2S — CID 46548411

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCCC(CC)C(CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCOCC1
InChIInChI=1S/C23H30F3N3O2S/c1-3-16(4-2)20(29-9-11-31-12-10-29)14-27-21(30)13-19-15-32-22(28-19)17-5-7-18(8-6-17)23(24,25)26/h5-8,15-16,20H,3-4,9-14H2,1-2H3,(H,27,30)
InChIKeyDTLUSLSAAZFNEI-UHFFFAOYSA-N
MW469.57 g/mol
LogP4.62
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 46548411) has the molecular formula C23H30F3N3O2S and a molecular weight of 469.57 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
PubChem CID46548411
Molecular FormulaC23H30F3N3O2S
Molecular Weight469.57 g/mol
Exact Mass469.20
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
SMILESCCC(CC)C(CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCOCC1
InChIInChI=1S/C23H30F3N3O2S/c1-3-16(4-2)20(29-9-11-31-12-10-29)14-27-21(30)13-19-15-32-22(28-19)17-5-7-18(8-6-17)23(24,25)26/h5-8,15-16,20H,3-4,9-14H2,1-2H3,(H,27,30)
InChIKeyDTLUSLSAAZFNEI-UHFFFAOYSA-N
XLogP4.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55659912
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
1-morpholin-4-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanone
CID 18152175
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46514403
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
CID 55574676
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 55435927
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408746
N-[2-(methylamino)propyl]-2-[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 120831655
2-(3-bromo-4-fluorophenyl)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 60524780

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide (CID 46548411) is N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is CCC(CC)C(CNC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is DTLUSLSAAZFNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3N3O2S/c1-3-16(4-2)20(29-9-11-31-12-10-29)14-27-21(30)13-19-15-32-22(28-19)17-5-7-18(8-6-17)23(24,25)26/h5-8,15-16,20H,3-4,9-14H2,1-2H3,(H,27,30).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 469.57 g/mol, XLogP of 4.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46548411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).