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

C16H10Br2N2OS — CID 19194977

IUPAC2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1Br
InChIInChI=1S/C16H10Br2N2OS/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)
InChIKeyRBEWOCUPSIHDGL-UHFFFAOYSA-N
MW438.14 g/mol
LogP5.59
Rot. Bonds3

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

2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 19194977) has the molecular formula C16H10Br2N2OS and a molecular weight of 438.14 g/mol. Its IUPAC name is 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID19194977
Molecular FormulaC16H10Br2N2OS
Molecular Weight438.14 g/mol
Exact Mass435.89
IUPAC Name2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1Br
InChIInChI=1S/C16H10Br2N2OS/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)
InChIKeyRBEWOCUPSIHDGL-UHFFFAOYSA-N
XLogP5.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.14
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
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
2-(2-bromophenoxy)-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196895
2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3950019
4-bromo-2-fluoro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 26687571
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(carbamoylamino)benzamide
CID 78775294
2-bromo-N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39072513

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide (CID 19194977) is 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is RBEWOCUPSIHDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Br2N2OS/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 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide?
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 438.14 g/mol, XLogP of 5.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 19194977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).