N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

C19H16F3N3O2S — CID 117090117

IUPACN-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)13-6-8-14(9-7-13)25-18-24-12-16(28-18)17(26)23-10-11-27-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,23,26)(H,24,25)
InChIKeyLVOZYPJQRMNTFK-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.71
Rot. Bonds7

About N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide

N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (PubChem CID 117090117) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
PubChem CID117090117
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC NameN-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)13-6-8-14(9-7-13)25-18-24-12-16(28-18)17(26)23-10-11-27-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,23,26)(H,24,25)
InChIKeyLVOZYPJQRMNTFK-UHFFFAOYSA-N
XLogP4.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Flt-3 Inhibitor III
CID 11772958
2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazole-5-carboxamide
CID 46880667
N-methyl-2-(5-(3-(trifluoromethyl)benzyl)-4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine]-1'-yl)thiazole-5-carboxamide
CID 50924128
2-[(phenoxyacetyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 2936872
N-(2-cyclopropylethyl)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-1,3-thiazole-5-carboxamide
CID 50924131
2-[5-[[3-(Trifluoromethyl)phenyl]methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-1,3-thiazole-5-carboxamide
CID 50924283
2-[5-[(4-tert-butylphenyl)methyl]spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 71521515
N-[(1S)-1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-2-[(2-hydroxyacetyl)amino]-1,3-thiazole-5-carboxamide
CID 89643422
2-acetamido-N-[(1S)-1-[4-[1-(4-ethoxyphenyl)azetidin-3-yl]oxyphenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 89643425
N-[(1S)-1-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 91668765
2-amino-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 118473377
4-[2-(dimethylamino)-1,3-thiazol-5-yl]-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 129051002

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide (CID 117090117) is N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is O=C(NCCOc1ccccc1)c1cnc(Nc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
The InChIKey is LVOZYPJQRMNTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)13-6-8-14(9-7-13)25-18-24-12-16(28-18)17(26)23-10-11-27-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,23,26)(H,24,25).
What are the key properties of N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide?
N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide has a molecular weight of 407.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-[4-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117090117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).