5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

C18H19F5N4O2S — CID 145391919

IUPAC5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NCC(F)(F)F)cc1C(F)F
InChIInChI=1S/C18H19F5N4O2S/c1-9-14(30-17(26-9)16(28)27-10-2-4-29-5-3-10)12-7-24-13(6-11(12)15(19)20)25-8-18(21,22)23/h6-7,10,15H,2-5,8H2,1H3,(H,24,25)(H,27,28)
InChIKeyFPTMJDBNKJAPDY-UHFFFAOYSA-N
MW450.43 g/mol
LogP4.33
Rot. Bonds6

About 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide

5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (PubChem CID 145391919) has the molecular formula C18H19F5N4O2S and a molecular weight of 450.43 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
PubChem CID145391919
Molecular FormulaC18H19F5N4O2S
Molecular Weight450.43 g/mol
Exact Mass450.11
IUPAC Name5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NCC(F)(F)F)cc1C(F)F
InChIInChI=1S/C18H19F5N4O2S/c1-9-14(30-17(26-9)16(28)27-10-2-4-29-5-3-10)12-7-24-13(6-11(12)15(19)20)25-8-18(21,22)23/h6-7,10,15H,2-5,8H2,1H3,(H,24,25)(H,27,28)
InChIKeyFPTMJDBNKJAPDY-UHFFFAOYSA-N
XLogP4.33
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide
CID 145391852
5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide
CID 145391645
7-azabicyclo[2.2.1]heptane-7-carbaldehyde;cyclopentanol;5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-1,3-thiazole-2-carboxamide;ethane
CID 145391821
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-fluoro-1,3-thiazole-2-carboxamide;cyclobutanol;ethane
CID 145391793
4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-1,3-thiazole-2-carboxylic acid
CID 166920167
cyclobutane;5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-methyl-4-(2-methylpyrrolidine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 145391857
7-azabicyclo[2.2.1]heptan-7-yl-[5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-2-(3-hydroxy-3-methylazetidine-1-carbonyl)-1,3-thiazol-4-yl]methanone;ethane
CID 145391764
4-(cyclohexylmethyl)-5-[2-(2,2-dimethylpropylamino)-6-(trifluoromethyl)-4-pyridinyl]-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 118185827
5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde
CID 145391750
4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde;5-[4-(difluoromethyl)-6-[[1-(trifluoromethyl)cyclobutyl]methylamino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 145391895
5-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 70669437
5-[4-(difluoromethyl)-6-[(1-methylcyclobutyl)amino]-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;4,4-difluoro-2-methylpyrrolidine-1-carbaldehyde
CID 145391666

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide (CID 145391919) is 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NC2CCOCC2)sc1-c1cnc(NCC(F)(F)F)cc1C(F)F.
What is the InChIKey of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is FPTMJDBNKJAPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F5N4O2S/c1-9-14(30-17(26-9)16(28)27-10-2-4-29-5-3-10)12-7-24-13(6-11(12)15(19)20)25-8-18(21,22)23/h6-7,10,15H,2-5,8H2,1H3,(H,24,25)(H,27,28).
What are the key properties of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide?
5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 450.43 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 145391919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).