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

C30H27FN4O2S — CID 71558638

IUPAC6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12
InChIInChI=1S/C30H27FN4O2S/c1-18-10-11-20(27(36)34-30(2,3)21-8-6-5-7-9-21)16-23(18)24-17-35-26(28(37)32-4)25(33-29(35)38-24)19-12-14-22(31)15-13-19/h5-17H,1-4H3,(H,32,37)(H,34,36)
InChIKeyWINGQWVAZQPLPF-UHFFFAOYSA-N
MW526.64 g/mol
LogP6.20
Rot. Bonds6

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

6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 71558638) has the molecular formula C30H27FN4O2S and a molecular weight of 526.64 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID71558638
Molecular FormulaC30H27FN4O2S
Molecular Weight526.64 g/mol
Exact Mass526.18
IUPAC Name6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12
InChIInChI=1S/C30H27FN4O2S/c1-18-10-11-20(27(36)34-30(2,3)21-8-6-5-7-9-21)16-23(18)24-17-35-26(28(37)32-4)25(33-29(35)38-24)19-12-14-22(31)15-13-19/h5-17H,1-4H3,(H,32,37)(H,34,36)
InChIKeyWINGQWVAZQPLPF-UHFFFAOYSA-N
XLogP6.20
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 56.20
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-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 71558638) is 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(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-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)nc2sc(-c3cc(C(=O)NC(C)(C)c4ccccc4)ccc3C)cn12.
What is the InChIKey of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is WINGQWVAZQPLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN4O2S/c1-18-10-11-20(27(36)34-30(2,3)21-8-6-5-7-9-21)16-23(18)24-17-35-26(28(37)32-4)25(33-29(35)38-24)19-12-14-22(31)15-13-19/h5-17H,1-4H3,(H,32,37)(H,34,36).
What are the key properties of 6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-(4-fluorophenyl)-N-methyl-2-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 526.64 g/mol, XLogP of 6.20, 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-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 71558638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).