N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide

C17H12BrFN2O3S2 — CID 22912053

IUPACN-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide
SMILESCS(=O)(=O)c1nc(C(=O)Nc2ccc(Br)cc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H12BrFN2O3S2/c1-26(23,24)17-14(10-2-6-12(19)7-3-10)25-16(21-17)15(22)20-13-8-4-11(18)5-9-13/h2-9H,1H3,(H,20,22)
InChIKeyYFBOZOFSCYICSS-UHFFFAOYSA-N
MW455.33 g/mol
LogP4.37
Rot. Bonds4

About N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide

N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide (PubChem CID 22912053) has the molecular formula C17H12BrFN2O3S2 and a molecular weight of 455.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide
PubChem CID22912053
Molecular FormulaC17H12BrFN2O3S2
Molecular Weight455.33 g/mol
Exact Mass453.95
IUPAC NameN-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide
SMILESCS(=O)(=O)c1nc(C(=O)Nc2ccc(Br)cc2)sc1-c1ccc(F)cc1
InChIInChI=1S/C17H12BrFN2O3S2/c1-26(23,24)17-14(10-2-6-12(19)7-3-10)25-16(21-17)15(22)20-13-8-4-11(18)5-9-13/h2-9H,1H3,(H,20,22)
InChIKeyYFBOZOFSCYICSS-UHFFFAOYSA-N
XLogP4.37
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide (CID 22912053) is N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide is CS(=O)(=O)c1nc(C(=O)Nc2ccc(Br)cc2)sc1-c1ccc(F)cc1.
What is the InChIKey of N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide?
The InChIKey is YFBOZOFSCYICSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrFN2O3S2/c1-26(23,24)17-14(10-2-6-12(19)7-3-10)25-16(21-17)15(22)20-13-8-4-11(18)5-9-13/h2-9H,1H3,(H,20,22).
What are the key properties of N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide?
N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide has a molecular weight of 455.33 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5-(4-fluorophenyl)-4-methylsulfonyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 22912053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).