N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C23H20F3N5O2S2 — CID 24992167

IUPACN-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(C(F)(F)F)nc3sccn23)c1
InChIInChI=1S/C23H20F3N5O2S2/c1-12-4-3-5-14(10-12)18-16(28-13(2)35-18)21(33)30-7-6-15(30)11-27-20(32)17-19(23(24,25)26)29-22-31(17)8-9-34-22/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,27,32)
InChIKeyIUYLHAJPGMBTBH-UHFFFAOYSA-N
MW519.57 g/mol
LogP4.80
Rot. Bonds5

About N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24992167) has the molecular formula C23H20F3N5O2S2 and a molecular weight of 519.57 g/mol. Its IUPAC name is N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24992167
Molecular FormulaC23H20F3N5O2S2
Molecular Weight519.57 g/mol
Exact Mass519.10
IUPAC NameN-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(C(F)(F)F)nc3sccn23)c1
InChIInChI=1S/C23H20F3N5O2S2/c1-12-4-3-5-14(10-12)18-16(28-13(2)35-18)21(33)30-7-6-15(30)11-27-20(32)17-19(23(24,25)26)29-22-31(17)8-9-34-22/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,27,32)
InChIKeyIUYLHAJPGMBTBH-UHFFFAOYSA-N
XLogP4.80
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24992167) is N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(C(F)(F)F)nc3sccn23)c1.
What is the InChIKey of N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is IUYLHAJPGMBTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2S2/c1-12-4-3-5-14(10-12)18-16(28-13(2)35-18)21(33)30-7-6-15(30)11-27-20(32)17-19(23(24,25)26)29-22-31(17)8-9-34-22/h3-5,8-10,15H,6-7,11H2,1-2H3,(H,27,32).
What are the key properties of N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 519.57 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24992167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).