N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C13H11F3N2O2S — CID 84554403

IUPACN-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2scnc2C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2S/c1-2-20-9-5-3-8(4-6-9)18-12(19)10-11(13(14,15)16)17-7-21-10/h3-7H,2H2,1H3,(H,18,19)
InChIKeyIPAGDFAEMAIMOY-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.81
Rot. Bonds4

About N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84554403) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84554403
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC NameN-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2scnc2C(F)(F)F)cc1
InChIInChI=1S/C13H11F3N2O2S/c1-2-20-9-5-3-8(4-6-9)18-12(19)10-11(13(14,15)16)17-7-21-10/h3-7H,2H2,1H3,(H,18,19)
InChIKeyIPAGDFAEMAIMOY-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560535
ethyl 4,5-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 84561349
N-(4-ethoxyphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxamide
CID 146186539
N-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554062
N-(4-ethoxyphenyl)-1,3-thiazole-2-carboxamide
CID 110696014
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
methyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 99978957
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558309
N-(4-ethoxyphenyl)-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-4-carboxamide
CID 16955260
N-(4-ethoxyphenyl)-1-phenyl-3-(trifluoromethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 29092214
N-(4-ethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691761

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84554403) is N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCOc1ccc(NC(=O)c2scnc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IPAGDFAEMAIMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-2-20-9-5-3-8(4-6-9)18-12(19)10-11(13(14,15)16)17-7-21-10/h3-7H,2H2,1H3,(H,18,19).
What are the key properties of N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 316.30 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84554403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).