N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide

C15H15F3N2O2S — CID 83280564

IUPACN-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F3N2O2S/c1-9(2)19-14(21)12-8-23-13(20-12)7-22-11-5-3-4-10(6-11)15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,21)
InChIKeyZARSNTBEGOXDEV-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.88
Rot. Bonds5

About N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide

N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 83280564) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
PubChem CID83280564
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC NameN-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1csc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H15F3N2O2S/c1-9(2)19-14(21)12-8-23-13(20-12)7-22-11-5-3-4-10(6-11)15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,21)
InChIKeyZARSNTBEGOXDEV-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-cyanophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 155754761
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 17441991
N-cyclopropyl-2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 155543543
2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-N-propyl-1,3-thiazole-4-carboxamide
CID 71292775
N-[(3s)-1,1-Dioxidotetrahydrothiophen-3-Yl]-2-[(4-Methylphenoxy)methyl]-1,3-Thiazole-4-Carboxamide
CID 40803889
N-({2-[(4-Methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)acetamide
CID 24714429
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009264
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 56810267
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)butanamide
CID 168269504
2-[3-[2-[2-(3-Fluorophenyl)ethylamino]ethoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 58276311
N-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712420
[2-[(2-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 24712457

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide (CID 83280564) is N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide is CC(C)NC(=O)c1csc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ZARSNTBEGOXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-9(2)19-14(21)12-8-23-13(20-12)7-22-11-5-3-4-10(6-11)15(16,17)18/h3-6,8-9H,7H2,1-2H3,(H,19,21).
What are the key properties of N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide?
N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83280564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).