N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

C10H13F3N2OS — CID 110676610

IUPACN-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1sc(C(F)(F)F)nc1C
InChIInChI=1S/C10H13F3N2OS/c1-3-4-5-14-8(16)7-6(2)15-9(17-7)10(11,12)13/h3-5H2,1-2H3,(H,14,16)
InChIKeyIEYICYRAILTVOZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.00
Rot. Bonds4

About N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110676610) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID110676610
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC NameN-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCNC(=O)c1sc(C(F)(F)F)nc1C
InChIInChI=1S/C10H13F3N2OS/c1-3-4-5-14-8(16)7-6(2)15-9(17-7)10(11,12)13/h3-5H2,1-2H3,(H,14,16)
InChIKeyIEYICYRAILTVOZ-UHFFFAOYSA-N
XLogP3.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110694293
N-cyclohexyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676616
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824
2-(methoxymethyl)-4-methyl-N-pentyl-1,3-thiazole-5-carboxamide
CID 110374853
N-[(2-methoxyphenyl)methyl]-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 110676639
N-butyl-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696270
4-methyl-N-[3-(methylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 119431660
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 43240530
N-butyl-2-[4-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 23611611
N-[[4-methyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 83959800
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 78858497

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 110676610) is N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCCCNC(=O)c1sc(C(F)(F)F)nc1C.
What is the InChIKey of N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IEYICYRAILTVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-3-4-5-14-8(16)7-6(2)15-9(17-7)10(11,12)13/h3-5H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110676610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).