6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C29H25FN4O2S — CID 71572035

IUPAC6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cn12
InChIInChI=1S/C29H25FN4O2S/c1-29(2,21-10-5-4-6-11-21)33-26(35)20-9-7-8-19(16-20)23-17-34-25(27(36)31-3)24(32-28(34)37-23)18-12-14-22(30)15-13-18/h4-17H,1-3H3,(H,31,36)(H,33,35)
InChIKeyKBNNHKMLWPZOEH-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.89
Rot. Bonds6

About 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572035) has the molecular formula C29H25FN4O2S and a molecular weight of 512.61 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID71572035
Molecular FormulaC29H25FN4O2S
Molecular Weight512.61 g/mol
Exact Mass512.17
IUPAC Name6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cn12
InChIInChI=1S/C29H25FN4O2S/c1-29(2,21-10-5-4-6-11-21)33-26(35)20-9-7-8-19(16-20)23-17-34-25(27(36)31-3)24(32-28(34)37-23)18-12-14-22(30)15-13-18/h4-17H,1-3H3,(H,31,36)(H,33,35)
InChIKeyKBNNHKMLWPZOEH-UHFFFAOYSA-N
XLogP5.89
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572035) is 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cccc(C(=O)NC(C)(C)c4ccccc4)c3)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is KBNNHKMLWPZOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O2S/c1-29(2,21-10-5-4-6-11-21)33-26(35)20-9-7-8-19(16-20)23-17-34-25(27(36)31-3)24(32-28(34)37-23)18-12-14-22(30)15-13-18/h4-17H,1-3H3,(H,31,36)(H,33,35).
What are the key properties of 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-methyl-2-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).