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

C15H15BrN4O2S2 — CID 2877277

IUPACN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide
SMILESBr.CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1
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
InChIKeyDJGXHBIIIGQGQO-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.56
Rot. Bonds4

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

N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide (PubChem CID 2877277) has the molecular formula C15H15BrN4O2S2 and a molecular weight of 427.35 g/mol. Its IUPAC name is N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide.

Molecular Properties

Compound NameN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide
PubChem CID2877277
Molecular FormulaC15H15BrN4O2S2
Molecular Weight427.35 g/mol
Exact Mass425.98
IUPAC NameN-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide
SMILESBr.CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1
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
InChIKeyDJGXHBIIIGQGQO-UHFFFAOYSA-N
XLogP4.56
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydrobromide?
The IUPAC name of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide (CID 2877277) is N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide.
What is the SMILES notation for N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide?
The canonical SMILES for N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide is Br.CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(O)cc3)n2)s1.
What is the InChIKey of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide?
The InChIKey is DJGXHBIIIGQGQO-UHFFFAOYSA-N. 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.
What are the key properties of N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide?
N-[5-[2-(4-hydroxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide;hydrobromide has a molecular weight of 427.35 g/mol, XLogP of 4.56, 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;hydrobromide is sourced from PubChem (CID 2877277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).