2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide

C10H8BrN3OS — CID 103755038

IUPAC2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cscn1)c1ccnc(Br)c1
InChIInChI=1S/C10H8BrN3OS/c11-9-3-7(1-2-12-9)10(15)13-4-8-5-16-6-14-8/h1-3,5-6H,4H2,(H,13,15)
InChIKeyXXBVYGBWIAFKGM-UHFFFAOYSA-N
MW298.17 g/mol
LogP2.23
Rot. Bonds3

About 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide

2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide (PubChem CID 103755038) has the molecular formula C10H8BrN3OS and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
PubChem CID103755038
Molecular FormulaC10H8BrN3OS
Molecular Weight298.17 g/mol
Exact Mass296.96
IUPAC Name2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cscn1)c1ccnc(Br)c1
InChIInChI=1S/C10H8BrN3OS/c11-9-3-7(1-2-12-9)10(15)13-4-8-5-16-6-14-8/h1-3,5-6H,4H2,(H,13,15)
InChIKeyXXBVYGBWIAFKGM-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
3-bromo-4-chloro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 103841851
4-bromo-3-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 115770341
2-bromo-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 103752547
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 113255745
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
2-bromo-N-[[2-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752307
2-bromo-N-[2-(carbamoylamino)ethyl]pyridine-4-carboxamide
CID 103755430
4-cyano-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346148
2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 103755502
N-(1,3-thiazol-4-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63825530
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide (CID 103755038) is 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cscn1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
The InChIKey is XXBVYGBWIAFKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3OS/c11-9-3-7(1-2-12-9)10(15)13-4-8-5-16-6-14-8/h1-3,5-6H,4H2,(H,13,15).
What are the key properties of 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide?
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide has a molecular weight of 298.17 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103755038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).