4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide

C18H20F6N4O2S — CID 156672924

IUPAC4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(N)=O)nc2[C@H](C)C(C)(C)O)cn1)C(F)(F)F
InChIInChI=1S/C18H20F6N4O2S/c1-7(16(3,4)30)12-13(31-15(28-12)14(25)29)9-6-26-11(5-10(9)18(22,23)24)27-8(2)17(19,20)21/h5-8,30H,1-4H3,(H2,25,29)(H,26,27)/t7-,8-/m0/s1
InChIKeyVOQMKMNPDAGKNY-YUMQZZPRSA-N
MW470.44 g/mol
LogP4.56
Rot. Bonds6

About 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide

4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide (PubChem CID 156672924) has the molecular formula C18H20F6N4O2S and a molecular weight of 470.44 g/mol. Its IUPAC name is 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
PubChem CID156672924
Molecular FormulaC18H20F6N4O2S
Molecular Weight470.44 g/mol
Exact Mass470.12
IUPAC Name4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide
SMILESC[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(N)=O)nc2[C@H](C)C(C)(C)O)cn1)C(F)(F)F
InChIInChI=1S/C18H20F6N4O2S/c1-7(16(3,4)30)12-13(31-15(28-12)14(25)29)9-6-26-11(5-10(9)18(22,23)24)27-8(2)17(19,20)21/h5-8,30H,1-4H3,(H2,25,29)(H,26,27)/t7-,8-/m0/s1
InChIKeyVOQMKMNPDAGKNY-YUMQZZPRSA-N
XLogP4.56
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

ethyl 5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxylate
CID 175716643
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-[(1-cyclopropyl-2,2,2-trifluoroethyl)amino]-4-(difluoromethyl)-3-pyridinyl]-2-N-(3-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-2,4-dicarboxamide
CID 145391832
5-[6-[[(2R)-butan-2-yl]amino]-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-N-(3,3,3-trideuterio-2-hydroxy-2-methylpropyl)-1,3-thiazole-2-carboxamide
CID 158865214
5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-ethyl-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-(tert-butylamino)-4-(trifluoromethyl)-3-pyridinyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-(3-hydroxycyclobutyl)-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-1,3-thiazole-2-carboxamide;5-[6-[[(1R)-1-cyclopropylethyl]amino]-4-methyl-3-pyridinyl]-N-(3-hydroxycyclobutyl)-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 161318925
ethane;N-(2-hydroxy-2-methylpropyl)-4-(2-methylpyrrolidine-1-carbonyl)-5-[6-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-2-carboxamide
CID 145391607
6-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]-5-(trifluoromethyl)-1H-pyrimidin-2-one
CID 143979405
5-[6-(1-cyclopropylethylamino)-4-(difluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 145391595
5-[6-(2-cyclopropylpropan-2-ylamino)-4-(trifluoromethyl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-2-carboxamide;2-methylpyrrolidine-1-carbaldehyde
CID 145391648
5-bromo-N-(1,1,1-trifluoropropan-2-yl)pyrazin-2-amine
CID 130935208
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
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

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide (CID 156672924) is 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide is C[C@H](Nc1cc(C(F)(F)F)c(-c2sc(C(N)=O)nc2[C@H](C)C(C)(C)O)cn1)C(F)(F)F.
What is the InChIKey of 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
The InChIKey is VOQMKMNPDAGKNY-YUMQZZPRSA-N. The full InChI is InChI=1S/C18H20F6N4O2S/c1-7(16(3,4)30)12-13(31-15(28-12)14(25)29)9-6-26-11(5-10(9)18(22,23)24)27-8(2)17(19,20)21/h5-8,30H,1-4H3,(H2,25,29)(H,26,27)/t7-,8-/m0/s1.
What are the key properties of 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide?
4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide has a molecular weight of 470.44 g/mol, XLogP of 4.56, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-[4-(trifluoromethyl)-6-[[(2S)-1,1,1-trifluoropropan-2-yl]amino]-3-pyridinyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 156672924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).