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

C11H15F3N2OS — CID 84558309

IUPACN-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCCCNC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-2-3-4-5-6-15-10(17)8-9(11(12,13)14)16-7-18-8/h7H,2-6H2,1H3,(H,15,17)
InChIKeyHYRDCSAVPHPKSV-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.47
Rot. Bonds6

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

N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84558309) has the molecular formula C11H15F3N2OS and a molecular weight of 280.31 g/mol. Its IUPAC name is N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84558309
Molecular FormulaC11H15F3N2OS
Molecular Weight280.31 g/mol
Exact Mass280.09
IUPAC NameN-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESCCCCCCNC(=O)c1scnc1C(F)(F)F
InChIInChI=1S/C11H15F3N2OS/c1-2-3-4-5-6-15-10(17)8-9(11(12,13)14)16-7-18-8/h7H,2-6H2,1H3,(H,15,17)
InChIKeyHYRDCSAVPHPKSV-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.47
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-(2-phenylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558434
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-(2-thiophen-3-ylethyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 122152494
methyl 4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 99978957
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
CID 91731345
4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111577113
N-(3-ethoxy-2-pyridinyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84560535
N-pentyl-1,3-thiazole-4-carboxamide
CID 62045475
N-pentyl-1,3-thiazole-2-carboxamide
CID 110695980
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-decyl-6-[5-(decylcarbamoyl)-2-pyridinyl]pyridine-3-carboxamide
CID 102199580

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84558309) is N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is CCCCCCNC(=O)c1scnc1C(F)(F)F.
What is the InChIKey of N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is HYRDCSAVPHPKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2OS/c1-2-3-4-5-6-15-10(17)8-9(11(12,13)14)16-7-18-8/h7H,2-6H2,1H3,(H,15,17).
What are the key properties of N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 280.31 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84558309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).