2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C25H25ClN4O2S — CID 71572950

IUPAC2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(Cl)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)C)ccc3C)cn12
InChIInChI=1S/C25H25ClN4O2S/c1-14-6-7-16(22(31)29-25(2,3)4)12-18(14)19-13-30-21(23(32)27-5)20(28-24(30)33-19)15-8-10-17(26)11-9-15/h6-13H,1-5H3,(H,27,32)(H,29,31)
InChIKeyHEYUTKBCRZTJNE-UHFFFAOYSA-N
MW481.02 g/mol
LogP5.58
Rot. Bonds4

About 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71572950) has the molecular formula C25H25ClN4O2S and a molecular weight of 481.02 g/mol. Its IUPAC name is 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID71572950
Molecular FormulaC25H25ClN4O2S
Molecular Weight481.02 g/mol
Exact Mass480.14
IUPAC Name2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(Cl)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)C)ccc3C)cn12
InChIInChI=1S/C25H25ClN4O2S/c1-14-6-7-16(22(31)29-25(2,3)4)12-18(14)19-13-30-21(23(32)27-5)20(28-24(30)33-19)15-8-10-17(26)11-9-15/h6-13H,1-5H3,(H,27,32)(H,29,31)
InChIKeyHEYUTKBCRZTJNE-UHFFFAOYSA-N
XLogP5.58
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.02
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71572950) is 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(Cl)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)C)ccc3C)cn12.
What is the InChIKey of 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is HEYUTKBCRZTJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2S/c1-14-6-7-16(22(31)29-25(2,3)4)12-18(14)19-13-30-21(23(32)27-5)20(28-24(30)33-19)15-8-10-17(26)11-9-15/h6-13H,1-5H3,(H,27,32)(H,29,31).
What are the key properties of 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 481.02 g/mol, XLogP of 5.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(tert-butylcarbamoyl)-2-methylphenyl]-6-(4-chlorophenyl)-N-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71572950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).