5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide

C19H24F2N4OS — CID 145391645

IUPAC5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F
InChIInChI=1S/C19H24F2N4OS/c1-10-15(27-18(23-10)17(26)24-11-6-5-7-11)13-9-22-14(25-19(2,3)4)8-12(13)16(20)21/h8-9,11,16H,5-7H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyZGBVOGHQXFQISR-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.94
Rot. Bonds5

About 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide

5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 145391645) has the molecular formula C19H24F2N4OS and a molecular weight of 394.49 g/mol. Its IUPAC name is 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID145391645
Molecular FormulaC19H24F2N4OS
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Name5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC2CCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F
InChIInChI=1S/C19H24F2N4OS/c1-10-15(27-18(23-10)17(26)24-11-6-5-7-11)13-9-22-14(25-19(2,3)4)8-12(13)16(20)21/h8-9,11,16H,5-7H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyZGBVOGHQXFQISR-UHFFFAOYSA-N
XLogP4.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-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-[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-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 145391595
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
5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2,3-dihydroxy-3-methylbutyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 145391783
[5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-1,3-thiazol-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 174946377
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-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-[(1R,2R)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;4-(7-azabicyclo[2.2.1]heptane-7-carbonyl)-N-[(1R,3R)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(1,1-dioxothian-4-yl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 158800123
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
5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-4-[hydroxy-[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,2S)-2-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide;4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(1S,3S)-3-hydroxycyclopentyl]-5-[4-methyl-6-(propan-2-ylamino)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 160953823
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

Frequently Asked Questions

What is the IUPAC name of 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide (CID 145391645) is 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NC2CCC2)sc1-c1cnc(NC(C)(C)C)cc1C(F)F.
What is the InChIKey of 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is ZGBVOGHQXFQISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4OS/c1-10-15(27-18(23-10)17(26)24-11-6-5-7-11)13-9-22-14(25-19(2,3)4)8-12(13)16(20)21/h8-9,11,16H,5-7H2,1-4H3,(H,22,25)(H,24,26).
What are the key properties of 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide?
5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(tert-butylamino)-4-(difluoromethyl)-3-pyridinyl]-N-cyclobutyl-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 145391645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).