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

C15H17F3N2OS — CID 84556529

IUPACN-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1scnc1C(F)(F)F
InChIInChI=1S/C15H17F3N2OS/c16-15(17,18)12-11(22-7-19-12)13(21)20-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,20,21)
InChIKeyDUEPEZYQNCIBHM-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.86
Rot. Bonds2

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

N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (PubChem CID 84556529) has the molecular formula C15H17F3N2OS and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
PubChem CID84556529
Molecular FormulaC15H17F3N2OS
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC NameN-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)c1scnc1C(F)(F)F
InChIInChI=1S/C15H17F3N2OS/c16-15(17,18)12-11(22-7-19-12)13(21)20-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,20,21)
InChIKeyDUEPEZYQNCIBHM-UHFFFAOYSA-N
XLogP3.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 155565172
N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3372949
N-(2,2,6,6-tetramethylpiperidin-4-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84556521
N-(2-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84558407
N-(2-amino-1-cyclohexylethyl)-4-(difluoromethyl)-1,3-thiazole-5-carboxamide
CID 154577009
N-[(1R)-2-amino-1-cyclohexylethyl]-4-(difluoromethyl)-1,3-thiazole-5-carboxamide
CID 170896860
N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47240135
N-(1-adamantyl)-2-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51115003
1-(1-Adamantyl)-4-[(4-methyl-1,3-thiazol-5-yl)carbonyl]piperazine
CID 56888927
N-(1-adamantyl)-4-ethyl-1,3-thiazole-5-carboxamide
CID 84362023
N-[1-(bromomethyl)-3-methylcyclohexyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114314645
N-(3-amino-9-bicyclo[3.3.1]nonanyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 120040328

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide (CID 84556529) is N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)c1scnc1C(F)(F)F.
What is the InChIKey of N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DUEPEZYQNCIBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2OS/c16-15(17,18)12-11(22-7-19-12)13(21)20-14-4-8-1-9(5-14)3-10(2-8)6-14/h7-10H,1-6H2,(H,20,21).
What are the key properties of N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide?
N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 84556529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).