N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

C22H23F3N2OS — CID 25225615

IUPACN-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C22H23F3N2OS/c23-22(24,25)17-4-2-1-3-16(17)20-26-11-18(29-20)19(28)27-12-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,11,13-15H,5-10,12H2,(H,27,28)
InChIKeyQRHQLJSYDYHMRL-UHFFFAOYSA-N
MW420.50 g/mol
LogP5.78
Rot. Bonds4

About N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide

N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 25225615) has the molecular formula C22H23F3N2OS and a molecular weight of 420.50 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID25225615
Molecular FormulaC22H23F3N2OS
Molecular Weight420.50 g/mol
Exact Mass420.15
IUPAC NameN-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC12CC3CC(CC(C3)C1)C2)c1cnc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C22H23F3N2OS/c23-22(24,25)17-4-2-1-3-16(17)20-26-11-18(29-20)19(28)27-12-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,11,13-15H,5-10,12H2,(H,27,28)
InChIKeyQRHQLJSYDYHMRL-UHFFFAOYSA-N
XLogP5.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.50
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091833
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132
2-(2-fluorophenyl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3-thiazole-5-carboxamide
CID 111661369
N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
CID 135620163
N-(1-adamantylmethyl)-1,2-oxazole-5-carboxamide
CID 143497665
N-(1-adamantylmethyl)naphthalene-2-carboxamide
CID 4284451
N-(1-adamantylmethyl)-1-(3-amino-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 59579870
methyl 2-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 80572561
5-ethynyl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole
CID 169493431
N-(1-adamantylmethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 18284901
2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 111436261
N-(1-adamantyl)-2-(trifluoromethyl)benzamide
CID 3118948

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide (CID 25225615) is N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is O=C(NCC12CC3CC(CC(C3)C1)C2)c1cnc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QRHQLJSYDYHMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2OS/c23-22(24,25)17-4-2-1-3-16(17)20-26-11-18(29-20)19(28)27-12-21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,11,13-15H,5-10,12H2,(H,27,28).
What are the key properties of N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide?
N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 420.50 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-2-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25225615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).