2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide

C16H10BrN3O2S — CID 67738868

IUPAC2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(C(=O)c2cncc(Br)c2)s1
InChIInChI=1S/C16H10BrN3O2S/c17-11-6-10(7-18-8-11)14(21)16-19-9-13(23-16)15(22)20-12-4-2-1-3-5-12/h1-9H,(H,20,22)
InChIKeyPCDAQTCFLQIWAC-UHFFFAOYSA-N
MW388.25 g/mol
LogP3.78
Rot. Bonds4

About 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide

2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 67738868) has the molecular formula C16H10BrN3O2S and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide
PubChem CID67738868
Molecular FormulaC16H10BrN3O2S
Molecular Weight388.25 g/mol
Exact Mass386.97
IUPAC Name2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(C(=O)c2cncc(Br)c2)s1
InChIInChI=1S/C16H10BrN3O2S/c17-11-6-10(7-18-8-11)14(21)16-19-9-13(23-16)15(22)20-12-4-2-1-3-5-12/h1-9H,(H,20,22)
InChIKeyPCDAQTCFLQIWAC-UHFFFAOYSA-N
XLogP3.78
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide (CID 67738868) is 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccccc1)c1cnc(C(=O)c2cncc(Br)c2)s1.
What is the InChIKey of 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is PCDAQTCFLQIWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O2S/c17-11-6-10(7-18-8-11)14(21)16-19-9-13(23-16)15(22)20-12-4-2-1-3-5-12/h1-9H,(H,20,22).
What are the key properties of 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide?
2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 388.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyridine-3-carbonyl)-N-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67738868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).