N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide

C16H10BrIN2OS — CID 19197485

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1I
InChIInChI=1S/C16H10BrIN2OS/c17-11-5-3-4-10(8-11)14-9-22-16(19-14)20-15(21)12-6-1-2-7-13(12)18/h1-9H,(H,19,20,21)
InChIKeyIOENLTNLGWFWQE-UHFFFAOYSA-N
MW485.14 g/mol
LogP5.43
Rot. Bonds3

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide (PubChem CID 19197485) has the molecular formula C16H10BrIN2OS and a molecular weight of 485.14 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
PubChem CID19197485
Molecular FormulaC16H10BrIN2OS
Molecular Weight485.14 g/mol
Exact Mass483.87
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1I
InChIInChI=1S/C16H10BrIN2OS/c17-11-5-3-4-10(8-11)14-9-22-16(19-14)20-15(21)12-6-1-2-7-13(12)18/h1-9H,(H,19,20,21)
InChIKeyIOENLTNLGWFWQE-UHFFFAOYSA-N
XLogP5.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.14
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 16910414
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
CID 78775294
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 60565091
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide (CID 19197485) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1I.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
The InChIKey is IOENLTNLGWFWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrIN2OS/c17-11-5-3-4-10(8-11)14-9-22-16(19-14)20-15(21)12-6-1-2-7-13(12)18/h1-9H,(H,19,20,21).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide has a molecular weight of 485.14 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide is sourced from PubChem (CID 19197485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).