N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C20H17BrN2O2S — CID 59179755

IUPACN-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(C(=O)c1sc(C)nc1C)c1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-12-19(26-13(2)22-12)20(25)23(14(3)24)18-7-5-4-6-17(18)15-8-10-16(21)11-9-15/h4-11H,1-3H3
InChIKeyYEFGUSZETGGDLG-UHFFFAOYSA-N
MW429.34 g/mol
LogP5.38
Rot. Bonds3

About N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 59179755) has the molecular formula C20H17BrN2O2S and a molecular weight of 429.34 g/mol. Its IUPAC name is N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID59179755
Molecular FormulaC20H17BrN2O2S
Molecular Weight429.34 g/mol
Exact Mass428.02
IUPAC NameN-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(C(=O)c1sc(C)nc1C)c1ccccc1-c1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O2S/c1-12-19(26-13(2)22-12)20(25)23(14(3)24)18-7-5-4-6-17(18)15-8-10-16(21)11-9-15/h4-11H,1-3H3
InChIKeyYEFGUSZETGGDLG-UHFFFAOYSA-N
XLogP5.38
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.34
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 59179755) is N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is CC(=O)N(C(=O)c1sc(C)nc1C)c1ccccc1-c1ccc(Br)cc1.
What is the InChIKey of N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is YEFGUSZETGGDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2S/c1-12-19(26-13(2)22-12)20(25)23(14(3)24)18-7-5-4-6-17(18)15-8-10-16(21)11-9-15/h4-11H,1-3H3.
What are the key properties of N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 429.34 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-(4-bromophenyl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59179755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).