2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide

C10H6Br2N2OS — CID 165118178

IUPAC2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(Br)s1
InChIInChI=1S/C10H6Br2N2OS/c11-6-1-3-7(4-2-6)14-9(15)8-5-13-10(12)16-8/h1-5H,(H,14,15)
InChIKeyQAQNJYVCRJZTHU-UHFFFAOYSA-N
MW362.05 g/mol
LogP3.92
Rot. Bonds2

About 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide

2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 165118178) has the molecular formula C10H6Br2N2OS and a molecular weight of 362.05 g/mol. Its IUPAC name is 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
PubChem CID165118178
Molecular FormulaC10H6Br2N2OS
Molecular Weight362.05 g/mol
Exact Mass359.86
IUPAC Name2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnc(Br)s1
InChIInChI=1S/C10H6Br2N2OS/c11-6-1-3-7(4-2-6)14-9(15)8-5-13-10(12)16-8/h1-5H,(H,14,15)
InChIKeyQAQNJYVCRJZTHU-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.05
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide (CID 165118178) is 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnc(Br)s1.
What is the InChIKey of 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QAQNJYVCRJZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2N2OS/c11-6-1-3-7(4-2-6)14-9(15)8-5-13-10(12)16-8/h1-5H,(H,14,15).
What are the key properties of 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide?
2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 362.05 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 165118178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).