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

C16H11F3N2O2S2 — CID 47077526

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide
SMILESO=C(NOCc1csc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O2S2/c17-16(18,19)11-4-1-3-10(7-11)14(22)21-23-8-12-9-25-15(20-12)13-5-2-6-24-13/h1-7,9H,8H2,(H,21,22)
InChIKeyIACDFTUAUPZYMJ-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.75
Rot. Bonds5

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

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide (PubChem CID 47077526) has the molecular formula C16H11F3N2O2S2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide
PubChem CID47077526
Molecular FormulaC16H11F3N2O2S2
Molecular Weight384.40 g/mol
Exact Mass384.02
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide
SMILESO=C(NOCc1csc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H11F3N2O2S2/c17-16(18,19)11-4-1-3-10(7-11)14(22)21-23-8-12-9-25-15(20-12)13-5-2-6-24-13/h1-7,9H,8H2,(H,21,22)
InChIKeyIACDFTUAUPZYMJ-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichlorophenyl)methoxy]-3-(trifluoromethyl)benzamide
CID 55856487
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(trifluoromethyl)benzoate
CID 7860078
3-(2-thiophen-2-yl-1,3-thiazol-4-yl)-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 72686256
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
N-(2-amino-2-oxoethoxy)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 112551146
dimethyl 5-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]benzene-1,3-dicarboxylate
CID 27264242
(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl 3,5-bis(trifluoromethyl)benzoate
CID 18291551
2-thiophen-2-yl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 46807557
N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 25494413
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82725291
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methoxy]-3-(trifluoromethyl)benzamide
CID 56797316

Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide (CID 47077526) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide is O=C(NOCc1csc(-c2cccs2)n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide?
The InChIKey is IACDFTUAUPZYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S2/c17-16(18,19)11-4-1-3-10(7-11)14(22)21-23-8-12-9-25-15(20-12)13-5-2-6-24-13/h1-7,9H,8H2,(H,21,22).
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide has a molecular weight of 384.40 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methoxy]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 47077526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).