N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide

C20H17F3N6O2S — CID 164811168

IUPACN-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
SMILESO=C(Nc1snnc1C(=O)Nc1cccc(N2CCCC2)c1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N6O2S/c21-20(22,23)13-8-12(10-24-11-13)17(30)26-19-16(27-28-32-19)18(31)25-14-4-3-5-15(9-14)29-6-1-2-7-29/h3-5,8-11H,1-2,6-7H2,(H,25,31)(H,26,30)
InChIKeyROLVOXBGJQLJRR-UHFFFAOYSA-N
MW462.46 g/mol
LogP4.06
Rot. Bonds5

About N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide

N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide (PubChem CID 164811168) has the molecular formula C20H17F3N6O2S and a molecular weight of 462.46 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
PubChem CID164811168
Molecular FormulaC20H17F3N6O2S
Molecular Weight462.46 g/mol
Exact Mass462.11
IUPAC NameN-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide
SMILESO=C(Nc1snnc1C(=O)Nc1cccc(N2CCCC2)c1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C20H17F3N6O2S/c21-20(22,23)13-8-12(10-24-11-13)17(30)26-19-16(27-28-32-19)18(31)25-14-4-3-5-15(9-14)29-6-1-2-7-29/h3-5,8-11H,1-2,6-7H2,(H,25,31)(H,26,30)
InChIKeyROLVOXBGJQLJRR-UHFFFAOYSA-N
XLogP4.06
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
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
5-[[1-cyclodecyl-5-(trifluoromethyl)piperidine-3-carbonyl]amino]-N-(3-pyrrolidin-1-ylphenyl)thiadiazole-4-carboxamide
CID 167152658
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-[4-(trifluoromethyl)phenyl]-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]-1,3-thiazole-4-carboxamide
CID 165073935
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 20959316
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226611
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
5-(3-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109246036
N-(3-chlorophenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109244496

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide (CID 164811168) is N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide is O=C(Nc1snnc1C(=O)Nc1cccc(N2CCCC2)c1)c1cncc(C(F)(F)F)c1.
What is the InChIKey of N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide?
The InChIKey is ROLVOXBGJQLJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2S/c21-20(22,23)13-8-12(10-24-11-13)17(30)26-19-16(27-28-32-19)18(31)25-14-4-3-5-15(9-14)29-6-1-2-7-29/h3-5,8-11H,1-2,6-7H2,(H,25,31)(H,26,30).
What are the key properties of N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide?
N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide has a molecular weight of 462.46 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylphenyl)-5-[[5-(trifluoromethyl)pyridine-3-carbonyl]amino]thiadiazole-4-carboxamide is sourced from PubChem (CID 164811168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).