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

C23H20F3N5O2S2 — CID 24995966

IUPAC6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CCC2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C23H20F3N5O2S2/c1-12-18(31-8-9-34-22(31)28-12)20(32)27-11-16-6-7-30(16)21(33)17-19(35-13(2)29-17)14-4-3-5-15(10-14)23(24,25)26/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,27,32)
InChIKeyYMUUCYYMIKBMAG-UHFFFAOYSA-N
MW519.57 g/mol
LogP4.80
Rot. Bonds5

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

6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 24995966) has the molecular formula C23H20F3N5O2S2 and a molecular weight of 519.57 g/mol. Its IUPAC name is 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID24995966
Molecular FormulaC23H20F3N5O2S2
Molecular Weight519.57 g/mol
Exact Mass519.10
IUPAC Name6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2CCC2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C23H20F3N5O2S2/c1-12-18(31-8-9-34-22(31)28-12)20(32)27-11-16-6-7-30(16)21(33)17-19(35-13(2)29-17)14-4-3-5-15(10-14)23(24,25)26/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,27,32)
InChIKeyYMUUCYYMIKBMAG-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

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 24995966) is 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N2CCC2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is YMUUCYYMIKBMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2S2/c1-12-18(31-8-9-34-22(31)28-12)20(32)27-11-16-6-7-30(16)21(33)17-19(35-13(2)29-17)14-4-3-5-15(10-14)23(24,25)26/h3-5,8-10,16H,6-7,11H2,1-2H3,(H,27,32).
What are the key properties of 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]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 6-methyl-N-[[1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 24995966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).