N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

C20H16F4N4O3S — CID 165092375

IUPACN-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(F)Oc1ccc(CCC(=O)c2nnsc2NC(=O)c2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H16F4N4O3S/c1-11(21)31-15-5-2-12(3-6-15)4-7-16(29)17-19(32-28-27-17)26-18(30)13-8-14(10-25-9-13)20(22,23)24/h2-3,5-6,8-11H,4,7H2,1H3,(H,26,30)
InChIKeyUICSNZOGBPRWFN-UHFFFAOYSA-N
MW468.43 g/mol
LogP4.71
Rot. Bonds8

About N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 165092375) has the molecular formula C20H16F4N4O3S and a molecular weight of 468.43 g/mol. Its IUPAC name is N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID165092375
Molecular FormulaC20H16F4N4O3S
Molecular Weight468.43 g/mol
Exact Mass468.09
IUPAC NameN-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(F)Oc1ccc(CCC(=O)c2nnsc2NC(=O)c2cncc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H16F4N4O3S/c1-11(21)31-15-5-2-12(3-6-15)4-7-16(29)17-19(32-28-27-17)26-18(30)13-8-14(10-25-9-13)20(22,23)24/h2-3,5-6,8-11H,4,7H2,1H3,(H,26,30)
InChIKeyUICSNZOGBPRWFN-UHFFFAOYSA-N
XLogP4.71
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811151
N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
CID 164811168
5-(trifluoromethyl)-N-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]propanoyl]-1H-pyrazol-4-yl]pyridine-3-carboxamide
CID 155009996
N-pyrimidin-2-yl-5-(trifluoromethyl)pyridine-3-carboxamide
CID 154758058
5-[[5-(trifluoromethyl)-3-pyridinyl]amino]thiadiazole-4-carboxylic acid
CID 175717024
5-chloro-2,3-dihydro-1H-inden-2-amine;N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;N-[(2R)-5-chloro-2,3-dihydro-1H-inden-2-yl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide;ethyl 5-aminothiadiazole-4-carboxylate;ethyl 5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylate;5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxylic acid;[5-(trifluoromethyl)-3-pyridinyl] formate
CID 164994775
ethyl 3-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]propanoate
CID 165166476
3-N-(2-methylpropyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109102234
3-N-(2-methoxyethyl)-5-N-(4-propan-2-yloxyphenyl)pyridine-3,5-dicarboxamide
CID 109103509
3-N-(3-methylbutyl)-5-N-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 109107173
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
1-(2-methoxy-4-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 68768290

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 165092375) is N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is CC(F)Oc1ccc(CCC(=O)c2nnsc2NC(=O)c2cncc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UICSNZOGBPRWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O3S/c1-11(21)31-15-5-2-12(3-6-15)4-7-16(29)17-19(32-28-27-17)26-18(30)13-8-14(10-25-9-13)20(22,23)24/h2-3,5-6,8-11H,4,7H2,1H3,(H,26,30).
What are the key properties of N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 468.43 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(1-fluoroethoxy)phenyl]propanoyl]thiadiazol-5-yl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 165092375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).