3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide

C14H10Br2N2O3S — CID 75394873

IUPAC3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H10Br2N2O3S/c15-7-4-6(5-8(16)11(7)20)13(21)18-14-17-9-2-1-3-10(19)12(9)22-14/h4-5,20H,1-3H2,(H,17,18,21)
InChIKeyKEQHCVATRCJSBJ-UHFFFAOYSA-N
MW446.12 g/mol
LogP4.14
Rot. Bonds2

About 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide

3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide (PubChem CID 75394873) has the molecular formula C14H10Br2N2O3S and a molecular weight of 446.12 g/mol. Its IUPAC name is 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
PubChem CID75394873
Molecular FormulaC14H10Br2N2O3S
Molecular Weight446.12 g/mol
Exact Mass443.88
IUPAC Name3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C14H10Br2N2O3S/c15-7-4-6(5-8(16)11(7)20)13(21)18-14-17-9-2-1-3-10(19)12(9)22-14/h4-5,20H,1-3H2,(H,17,18,21)
InChIKeyKEQHCVATRCJSBJ-UHFFFAOYSA-N
XLogP4.14
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.12
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-6-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1H-pyridine-4-carboxamide
CID 90625525
3-chloro-6-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 162670824
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)naphthalene-2-carboxamide
CID 90625369
4-bromo-3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 81308268
4-bromo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 3715134
N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 162651676
1-(4-ethoxyphenyl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 166221855
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 5140427
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,3-benzothiazole-6-carboxamide
CID 90625277
1-(2,6-dichlorophenyl)-5-ethyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-1,2,4-triazole-3-carboxamide
CID 86885275
3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide
CID 86885284
2-(6-chloro-1H-indol-3-yl)-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
CID 126769216

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide (CID 75394873) is 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide is O=C(Nc1nc2c(s1)C(=O)CCC2)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is KEQHCVATRCJSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O3S/c15-7-4-6(5-8(16)11(7)20)13(21)18-14-17-9-2-1-3-10(19)12(9)22-14/h4-5,20H,1-3H2,(H,17,18,21).
What are the key properties of 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide?
3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 446.12 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-hydroxy-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 75394873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).