5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C15H9Br2N3OS — CID 19196356

IUPAC5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cncc(Br)c1
InChIInChI=1S/C15H9Br2N3OS/c16-11-3-1-2-9(4-11)13-8-22-15(19-13)20-14(21)10-5-12(17)7-18-6-10/h1-8H,(H,19,20,21)
InChIKeyZFHQIJLLWCSFDS-UHFFFAOYSA-N
MW439.13 g/mol
LogP4.98
Rot. Bonds3

About 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 19196356) has the molecular formula C15H9Br2N3OS and a molecular weight of 439.13 g/mol. Its IUPAC name is 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID19196356
Molecular FormulaC15H9Br2N3OS
Molecular Weight439.13 g/mol
Exact Mass436.88
IUPAC Name5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cncc(Br)c1
InChIInChI=1S/C15H9Br2N3OS/c16-11-3-1-2-9(4-11)13-8-22-15(19-13)20-14(21)10-5-12(17)7-18-6-10/h1-8H,(H,19,20,21)
InChIKeyZFHQIJLLWCSFDS-UHFFFAOYSA-N
XLogP4.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.13
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
5-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2520885
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dichlorobenzamide
CID 19195083
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
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 55334288
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 78803523
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 19196356) is 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is ZFHQIJLLWCSFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2N3OS/c16-11-3-1-2-9(4-11)13-8-22-15(19-13)20-14(21)10-5-12(17)7-18-6-10/h1-8H,(H,19,20,21).
What are the key properties of 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 439.13 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 19196356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).