N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C23H21F3N4O2S2 — CID 67262517

IUPACN-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C23H21F3N4O2S2/c1-13-4-3-5-15(10-13)20-19(29-14(2)34-20)22(32)30-8-9-33-18(30)12-28-21(31)16-11-27-7-6-17(16)23(24,25)26/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,28,31)
InChIKeyJQQWUXYXIXTQSW-UHFFFAOYSA-N
MW506.58 g/mol
LogP4.79
Rot. Bonds5

About N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 67262517) has the molecular formula C23H21F3N4O2S2 and a molecular weight of 506.58 g/mol. Its IUPAC name is N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID67262517
Molecular FormulaC23H21F3N4O2S2
Molecular Weight506.58 g/mol
Exact Mass506.11
IUPAC NameN-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C23H21F3N4O2S2/c1-13-4-3-5-15(10-13)20-19(29-14(2)34-20)22(32)30-8-9-33-18(30)12-28-21(31)16-11-27-7-6-17(16)23(24,25)26/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,28,31)
InChIKeyJQQWUXYXIXTQSW-UHFFFAOYSA-N
XLogP4.79
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1H-indazole-4-carboxamide
CID 67262727
2-methoxy-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyridine-3-carboxamide
CID 67262464
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-1,3-benzothiazole-7-carboxamide
CID 67262584
1,3,5-trimethyl-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]pyrazole-4-carboxamide
CID 44609750
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67262580
N-[[3-[2-(dimethylamino)-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 44609120
2-hydroxy-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]benzamide
CID 24815676
4-methoxy-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 66998626
2,2-difluoro-N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-oxazolidin-2-yl]methyl]-3H-1-benzofuran-7-carboxamide
CID 45256709
[2-(aminomethyl)-1,3-thiazolidin-3-yl]-[5-(3,4-difluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67262628
N-[[3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]-1,3-thiazolidin-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 67262660
2-chloro-4-fluoro-N-[[(1R,2S,5S)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]benzamide
CID 24815097

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 67262517) is N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2CCSC2CNC(=O)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JQQWUXYXIXTQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2S2/c1-13-4-3-5-15(10-13)20-19(29-14(2)34-20)22(32)30-8-9-33-18(30)12-28-21(31)16-11-27-7-6-17(16)23(24,25)26/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,28,31).
What are the key properties of N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 506.58 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 67262517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).