N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide

C15H14BrN4O2S2- — CID 53314639

IUPACN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1.[Br-]
InChIInChI=1S/C15H14N4O2S2.BrH/c1-8-13(23-15(16-8)17-9(2)20)12-7-22-14(19-12)18-10-3-5-11(21)6-4-10;/h3-7,21H,1-2H3,(H,18,19)(H,16,17,20);1H/p-1
InChIKeyDJGXHBIIIGQGQO-UHFFFAOYSA-M
MW426.34 g/mol
LogP0.99
Rot. Bonds4

About N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide

N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide (PubChem CID 53314639) has the molecular formula C15H14BrN4O2S2- and a molecular weight of 426.34 g/mol. Its IUPAC name is N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide.

Molecular Properties

Compound NameN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide
PubChem CID53314639
Molecular FormulaC15H14BrN4O2S2-
Molecular Weight426.34 g/mol
Exact Mass424.97
IUPAC NameN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide
SMILESCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1.[Br-]
InChIInChI=1S/C15H14N4O2S2.BrH/c1-8-13(23-15(16-8)17-9(2)20)12-7-22-14(19-12)18-10-3-5-11(21)6-4-10;/h3-7,21H,1-2H3,(H,18,19)(H,16,17,20);1H/p-1
InChIKeyDJGXHBIIIGQGQO-UHFFFAOYSA-M
XLogP0.99
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide?
The IUPAC name of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide (CID 53314639) is N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide.
What is the SMILES notation for N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide?
The canonical SMILES for N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide is CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1.[Br-].
What is the InChIKey of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide?
The InChIKey is DJGXHBIIIGQGQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N4O2S2.BrH/c1-8-13(23-15(16-8)17-9(2)20)12-7-22-14(19-12)18-10-3-5-11(21)6-4-10;/h3-7,21H,1-2H3,(H,18,19)(H,16,17,20);1H/p-1.
What are the key properties of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide?
N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide has a molecular weight of 426.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide bromide is sourced from PubChem (CID 53314639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).