3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide

C14H14F3N3O3S — CID 91831542

IUPAC3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nnc(C(F)(F)F)s2)cc1OC
InChIInChI=1S/C14H14F3N3O3S/c1-22-9-4-3-8(7-10(9)23-2)12(21)18-6-5-11-19-20-13(24-11)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,21)
InChIKeyJOPOPIYQSYHUEV-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.55
Rot. Bonds6

About 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide

3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide (PubChem CID 91831542) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
PubChem CID91831542
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Name3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nnc(C(F)(F)F)s2)cc1OC
InChIInChI=1S/C14H14F3N3O3S/c1-22-9-4-3-8(7-10(9)23-2)12(21)18-6-5-11-19-20-13(24-11)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,21)
InChIKeyJOPOPIYQSYHUEV-UHFFFAOYSA-N
XLogP2.55
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyphenoxy)-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]acetamide
CID 118771869
3,4-dimethoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739313
N-[3-(5-amino-1,3,4-thiadiazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 92659573
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 51207889
N-[2-(5-chlorothiophen-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 110787979
3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
CID 108935164
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 92659644
3,4-dimethoxy-N-[2-(2H-tetrazol-5-yl)ethyl]benzamide
CID 110720006
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3,4-dimethoxybenzamide
CID 110401232
4-methoxy-3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]benzoic acid
CID 114450108
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide (CID 91831542) is 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NCCc2nnc(C(F)(F)F)s2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
The InChIKey is JOPOPIYQSYHUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-22-9-4-3-8(7-10(9)23-2)12(21)18-6-5-11-19-20-13(24-11)14(15,16)17/h3-4,7H,5-6H2,1-2H3,(H,18,21).
What are the key properties of 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide?
3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide has a molecular weight of 361.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 91831542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).