N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide

C19H15F3N2O3S — CID 30245473

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c(OC)c1
InChIInChI=1S/C19H15F3N2O3S/c1-26-13-7-8-14(16(9-13)27-2)15-10-28-18(23-15)24-17(25)11-3-5-12(6-4-11)19(20,21)22/h3-10H,1-2H3,(H,23,24,25)
InChIKeyIYSLJRJZUBNTHL-UHFFFAOYSA-N
MW408.40 g/mol
LogP5.10
Rot. Bonds5

About N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide (PubChem CID 30245473) has the molecular formula C19H15F3N2O3S and a molecular weight of 408.40 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
PubChem CID30245473
Molecular FormulaC19H15F3N2O3S
Molecular Weight408.40 g/mol
Exact Mass408.08
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c(OC)c1
InChIInChI=1S/C19H15F3N2O3S/c1-26-13-7-8-14(16(9-13)27-2)15-10-28-18(23-15)24-17(25)11-3-5-12(6-4-11)19(20,21)22/h3-10H,1-2H3,(H,23,24,25)
InChIKeyIYSLJRJZUBNTHL-UHFFFAOYSA-N
XLogP5.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3561344
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)-2-methylpropanamide
CID 92551611
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 4111761
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 5219831
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911134
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 43077525
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-ethylbenzamide
CID 3255300
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-methoxyquinoline-2-carboxamide
CID 35804340
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 30659809

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide (CID 30245473) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide is COc1ccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is IYSLJRJZUBNTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3S/c1-26-13-7-8-14(16(9-13)27-2)15-10-28-18(23-15)24-17(25)11-3-5-12(6-4-11)19(20,21)22/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 408.40 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 30245473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).