N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

C18H15BrFN3O3S2 — CID 16944585

IUPACN-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(NS(=O)(=O)c3ccc(F)cc3)nc2C)ccc1Br
InChIInChI=1S/C18H15BrFN3O3S2/c1-10-9-13(5-8-15(10)19)22-17(24)16-11(2)21-18(27-16)23-28(25,26)14-6-3-12(20)4-7-14/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyJIEASICVIWUIEL-UHFFFAOYSA-N
MW484.37 g/mol
LogP4.71
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide

N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16944585) has the molecular formula C18H15BrFN3O3S2 and a molecular weight of 484.37 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16944585
Molecular FormulaC18H15BrFN3O3S2
Molecular Weight484.37 g/mol
Exact Mass482.97
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(NC(=O)c2sc(NS(=O)(=O)c3ccc(F)cc3)nc2C)ccc1Br
InChIInChI=1S/C18H15BrFN3O3S2/c1-10-9-13(5-8-15(10)19)22-17(24)16-11(2)21-18(27-16)23-28(25,26)14-6-3-12(20)4-7-14/h3-9H,1-2H3,(H,21,23)(H,22,24)
InChIKeyJIEASICVIWUIEL-UHFFFAOYSA-N
XLogP4.71
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.37
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16802460
N-(4-methoxy-3-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945038
2-[(4-chlorophenyl)sulfonylamino]-N-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944693
N-(4-bromo-3-methylphenyl)-2-(3-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152926
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(2-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 16944556
2-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16944431
butyl 4-[[2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16944561
N-(3-acetamidophenyl)-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16945056
2-[(4-fluorophenyl)sulfonylamino]-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 16944507
2-[(4-chlorophenyl)sulfonylamino]-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-carboxamide
CID 16944691
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide
CID 16944816

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide (CID 16944585) is N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is Cc1cc(NC(=O)c2sc(NS(=O)(=O)c3ccc(F)cc3)nc2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is JIEASICVIWUIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O3S2/c1-10-9-13(5-8-15(10)19)22-17(24)16-11(2)21-18(27-16)23-28(25,26)14-6-3-12(20)4-7-14/h3-9H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 484.37 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16944585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).