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

C21H14BrN3OS — CID 122286371

IUPAC5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cncc(Br)c1
InChIInChI=1S/C21H14BrN3OS/c22-17-10-16(11-23-12-17)20(26)24-18-8-6-14(7-9-18)19-13-27-21(25-19)15-4-2-1-3-5-15/h1-13H,(H,24,26)
InChIKeyGMDCSWURKGAMHH-UHFFFAOYSA-N
MW436.33 g/mol
LogP5.89
Rot. Bonds4

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

5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide (PubChem CID 122286371) has the molecular formula C21H14BrN3OS and a molecular weight of 436.33 g/mol. Its IUPAC name is 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
PubChem CID122286371
Molecular FormulaC21H14BrN3OS
Molecular Weight436.33 g/mol
Exact Mass435.00
IUPAC Name5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cncc(Br)c1
InChIInChI=1S/C21H14BrN3OS/c22-17-10-16(11-23-12-17)20(26)24-18-8-6-14(7-9-18)19-13-27-21(25-19)15-4-2-1-3-5-15/h1-13H,(H,24,26)
InChIKeyGMDCSWURKGAMHH-UHFFFAOYSA-N
XLogP5.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.33
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 31263128
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CID 122286288
5-bromo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
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2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
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5-bromo-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 2520885
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
5-bromo-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 121024443
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
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5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
1-(4-chlorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 108780501
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
5-bromo-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 2111789

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide (CID 122286371) is 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is GMDCSWURKGAMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrN3OS/c22-17-10-16(11-23-12-17)20(26)24-18-8-6-14(7-9-18)19-13-27-21(25-19)15-4-2-1-3-5-15/h1-13H,(H,24,26).
What are the key properties of 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 436.33 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122286371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).