3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

C17H13BrN2O2S — CID 23854360

IUPAC3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccc(Br)c3O)n2)cc1
InChIInChI=1S/C17H13BrN2O2S/c1-10-5-7-11(8-6-10)14-9-23-17(19-14)20-16(22)12-3-2-4-13(18)15(12)21/h2-9,21H,1H3,(H,19,20,22)
InChIKeyKKTZBNJIMBLZAY-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.84
Rot. Bonds3

About 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 23854360) has the molecular formula C17H13BrN2O2S and a molecular weight of 389.27 g/mol. Its IUPAC name is 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID23854360
Molecular FormulaC17H13BrN2O2S
Molecular Weight389.27 g/mol
Exact Mass387.99
IUPAC Name3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cccc(Br)c3O)n2)cc1
InChIInChI=1S/C17H13BrN2O2S/c1-10-5-7-11(8-6-10)14-9-23-17(19-14)20-16(22)12-3-2-4-13(18)15(12)21/h2-9,21H,1H3,(H,19,20,22)
InChIKeyKKTZBNJIMBLZAY-UHFFFAOYSA-N
XLogP4.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1186581
5-bromo-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4008258
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-hydroxynaphthalene-2-carboxamide
CID 23822903
1-N,2-N-bis[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 5237170
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
methyl 2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]carbamoyl]benzoate
CID 108798618
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 56930773
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5083822
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 23854360) is 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)c3cccc(Br)c3O)n2)cc1.
What is the InChIKey of 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is KKTZBNJIMBLZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2S/c1-10-5-7-11(8-6-10)14-9-23-17(19-14)20-16(22)12-3-2-4-13(18)15(12)21/h2-9,21H,1H3,(H,19,20,22).
What are the key properties of 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 389.27 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 23854360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).