N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

C16H11F3N4O2S — CID 17499127

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCc1nnc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1
InChIInChI=1S/C16H11F3N4O2S/c1-9-22-23-15(26-9)21-14(24)10-2-5-12(6-3-10)25-13-7-4-11(8-20-13)16(17,18)19/h2-8H,1H3,(H,21,23,24)
InChIKeyMPNDKNCVYCCBNU-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.30
Rot. Bonds4

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (PubChem CID 17499127) has the molecular formula C16H11F3N4O2S and a molecular weight of 380.35 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
PubChem CID17499127
Molecular FormulaC16H11F3N4O2S
Molecular Weight380.35 g/mol
Exact Mass380.06
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
SMILESCc1nnc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1
InChIInChI=1S/C16H11F3N4O2S/c1-9-22-23-15(26-9)21-14(24)10-2-5-12(6-3-10)25-13-7-4-11(8-20-13)16(17,18)19/h2-8H,1H3,(H,21,23,24)
InChIKeyMPNDKNCVYCCBNU-UHFFFAOYSA-N
XLogP4.30
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
N-(2-butan-2-ylpyrazol-3-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 78824297
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
N-[6-[4-(1-hydroxyethyl)phenoxy]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 18673964
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360
N-[2-(2-ethylanilino)-2-oxoethyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531882

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide (CID 17499127) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is Cc1nnc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
The InChIKey is MPNDKNCVYCCBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2S/c1-9-22-23-15(26-9)21-14(24)10-2-5-12(6-3-10)25-13-7-4-11(8-20-13)16(17,18)19/h2-8H,1H3,(H,21,23,24).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide has a molecular weight of 380.35 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide is sourced from PubChem (CID 17499127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).