N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

C21H13F3N2OS — CID 7917212

IUPACN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H13F3N2OS/c22-21(23,24)17-9-7-14(8-10-17)19(27)26-20-25-18(12-28-20)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H,25,26,27)
InChIKeyYYCILFGPPJBFOD-UHFFFAOYSA-N
MW398.41 g/mol
LogP6.23
Rot. Bonds3

About N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide

N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (PubChem CID 7917212) has the molecular formula C21H13F3N2OS and a molecular weight of 398.41 g/mol. Its IUPAC name is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
PubChem CID7917212
Molecular FormulaC21H13F3N2OS
Molecular Weight398.41 g/mol
Exact Mass398.07
IUPAC NameN-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H13F3N2OS/c22-21(23,24)17-9-7-14(8-10-17)19(27)26-20-25-18(12-28-20)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H,25,26,27)
InChIKeyYYCILFGPPJBFOD-UHFFFAOYSA-N
XLogP6.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.41
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 5130675
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
3,4-dimethyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 4277786
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4622509
2-N,6-N-bis(4-naphthalen-2-yl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 4195615
4-[(4-fluorophenyl)sulfonylamino]-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 121044337
3-methoxy-4-methyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18229856
3,4,5-triethoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 5147525
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 4111369
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 2557251

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide (CID 7917212) is N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is YYCILFGPPJBFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2OS/c22-21(23,24)17-9-7-14(8-10-17)19(27)26-20-25-18(12-28-20)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H,25,26,27).
What are the key properties of N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide?
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 398.41 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 7917212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).