N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C14H13F3N2OS — CID 84554602

IUPACN-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2scnc2C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2OS/c1-8(2)9-3-5-10(6-4-9)19-13(20)11-12(14(15,16)17)18-7-21-11/h3-8H,1-2H3,(H,19,20)
InChIKeyAJVQNERGECPMJT-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.54
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84554602) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84554602
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC NameN-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2scnc2C(F)(F)F)cc1
InChIInChI=1S/C14H13F3N2OS/c1-8(2)9-3-5-10(6-4-9)19-13(20)11-12(14(15,16)17)18-7-21-11/h3-8H,1-2H3,(H,19,20)
InChIKeyAJVQNERGECPMJT-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554403
N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555128
propan-2-yl 3-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]benzoate
CID 84555332
N-(1,3-benzodioxol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84554062
5-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110858119
N-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84555350
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560535
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
ethyl 4,5-dimethyl-2-[[4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]amino]thiophene-3-carboxylate
CID 84561349
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84554602) is N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CC(C)c1ccc(NC(=O)c2scnc2C(F)(F)F)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is AJVQNERGECPMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c1-8(2)9-3-5-10(6-4-9)19-13(20)11-12(14(15,16)17)18-7-21-11/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 314.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84554602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).