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

C16H15F5N4O2S2 — CID 145391852

IUPAC5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CS(=O)C2)sc1-c1cnc(NCC(F)(F)F)cc1C(F)F
InChIInChI=1S/C16H15F5N4O2S2/c1-7-12(28-15(24-7)14(26)25-8-4-29(27)5-8)10-3-22-11(2-9(10)13(17)18)23-6-16(19,20)21/h2-3,8,13H,4-6H2,1H3,(H,22,23)(H,25,26)
InChIKeyNMDBHXKXXXCSAL-UHFFFAOYSA-N
MW454.45 g/mol
LogP3.29
Rot. Bonds6

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

5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide (PubChem CID 145391852) has the molecular formula C16H15F5N4O2S2 and a molecular weight of 454.45 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide
PubChem CID145391852
Molecular FormulaC16H15F5N4O2S2
Molecular Weight454.45 g/mol
Exact Mass454.06
IUPAC Name5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CS(=O)C2)sc1-c1cnc(NCC(F)(F)F)cc1C(F)F
InChIInChI=1S/C16H15F5N4O2S2/c1-7-12(28-15(24-7)14(26)25-8-4-29(27)5-8)10-3-22-11(2-9(10)13(17)18)23-6-16(19,20)21/h2-3,8,13H,4-6H2,1H3,(H,22,23)(H,25,26)
InChIKeyNMDBHXKXXXCSAL-UHFFFAOYSA-N
XLogP3.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(oxan-4-yl)-1,3-thiazole-2-carboxamide
CID 145391919
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
5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 145391595
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
5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-N-(3-hydroxy-3-methylbutan-2-yl)-4-(2-methylpiperidine-1-carbonyl)-1,3-thiazole-2-carboxamide;ethane
CID 145391792
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-[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
N-cyclobutyl-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-5-[4-(difluoromethyl)-6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 156527478

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide (CID 145391852) is 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-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-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NC2CS(=O)C2)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-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is NMDBHXKXXXCSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F5N4O2S2/c1-7-12(28-15(24-7)14(26)25-8-4-29(27)5-8)10-3-22-11(2-9(10)13(17)18)23-6-16(19,20)21/h2-3,8,13H,4-6H2,1H3,(H,22,23)(H,25,26).
What are the key properties of 5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide?
5-[4-(difluoromethyl)-6-(2,2,2-trifluoroethylamino)-3-pyridinyl]-4-methyl-N-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 454.45 g/mol, XLogP of 3.29, 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-(1-oxothietan-3-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 145391852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).