5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide

C14H14Br2N2O2S — CID 10433031

IUPAC5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
SMILESCC(C)(C)c1nc(NC(=O)c2cc(Br)ccc2O)sc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-14(2,3)10-11(16)21-13(17-10)18-12(20)8-6-7(15)4-5-9(8)19/h4-6,19H,1-3H3,(H,17,18,20)
InChIKeyVDPPVNGNPHTADG-UHFFFAOYSA-N
MW434.15 g/mol
LogP4.92
Rot. Bonds2

About 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide

5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide (PubChem CID 10433031) has the molecular formula C14H14Br2N2O2S and a molecular weight of 434.15 g/mol. Its IUPAC name is 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
PubChem CID10433031
Molecular FormulaC14H14Br2N2O2S
Molecular Weight434.15 g/mol
Exact Mass431.91
IUPAC Name5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
SMILESCC(C)(C)c1nc(NC(=O)c2cc(Br)ccc2O)sc1Br
InChIInChI=1S/C14H14Br2N2O2S/c1-14(2,3)10-11(16)21-13(17-10)18-12(20)8-6-7(15)4-5-9(8)19/h4-6,19H,1-3H3,(H,17,18,20)
InChIKeyVDPPVNGNPHTADG-UHFFFAOYSA-N
XLogP4.92
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.15
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-tert-butyl-5-(2,2-dimethylpropanoyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide
CID 87092449
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
(2S)-2-[(5-bromo-2-hydroxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 107729323
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
5-bromo-N-(6-chloro-2-pyridinyl)-2-hydroxybenzamide
CID 103739840
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-bromo-2-hydroxybenzamide
CID 26045800
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxy-5-methylbenzamide
CID 60654609
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydroxybenzamide
CID 113266660
5-bromo-N-[4-butyl-5-(4-phenylpiperazin-1-yl)-1,3-thiazol-2-yl]-2-hydroxybenzamide
CID 76852537

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide (CID 10433031) is 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide is CC(C)(C)c1nc(NC(=O)c2cc(Br)ccc2O)sc1Br.
What is the InChIKey of 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
The InChIKey is VDPPVNGNPHTADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2O2S/c1-14(2,3)10-11(16)21-13(17-10)18-12(20)8-6-7(15)4-5-9(8)19/h4-6,19H,1-3H3,(H,17,18,20).
What are the key properties of 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide?
5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide has a molecular weight of 434.15 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide is sourced from PubChem (CID 10433031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).