N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide

C19H15F3N2O2S — CID 55842822

IUPACN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)12-26-15-8-6-14(7-9-15)18(25)23-10-17-24-16(11-27-17)13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,23,25)
InChIKeyBUDGDTSBEARRPT-UHFFFAOYSA-N
MW392.40 g/mol
LogP4.68
Rot. Bonds6

About N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide

N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 55842822) has the molecular formula C19H15F3N2O2S and a molecular weight of 392.40 g/mol. Its IUPAC name is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID55842822
Molecular FormulaC19H15F3N2O2S
Molecular Weight392.40 g/mol
Exact Mass392.08
IUPAC NameN-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESO=C(NCc1nc(-c2ccccc2)cs1)c1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C19H15F3N2O2S/c20-19(21,22)12-26-15-8-6-14(7-9-15)18(25)23-10-17-24-16(11-27-17)13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,23,25)
InChIKeyBUDGDTSBEARRPT-UHFFFAOYSA-N
XLogP4.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 111871929
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663425
N-(thiophen-2-ylmethyl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 3749251
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 55604969
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
1-(4-chlorophenyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 52681875
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112841611
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 51087114
4-(1,3-thiazol-4-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18277019

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide (CID 55842822) is N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide is O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is BUDGDTSBEARRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2S/c20-19(21,22)12-26-15-8-6-14(7-9-15)18(25)23-10-17-24-16(11-27-17)13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,23,25).
What are the key properties of N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide?
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 392.40 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 55842822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).