6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

C11H10BrN3OS — CID 66462176

IUPAC6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nccs1)c1ccc(Br)nc1
InChIInChI=1S/C11H10BrN3OS/c12-9-2-1-8(7-15-9)11(16)14-4-3-10-13-5-6-17-10/h1-2,5-7H,3-4H2,(H,14,16)
InChIKeyCVUZXRALGQHROX-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.27
Rot. Bonds4

About 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 66462176) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID66462176
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1nccs1)c1ccc(Br)nc1
InChIInChI=1S/C11H10BrN3OS/c12-9-2-1-8(7-15-9)11(16)14-4-3-10-13-5-6-17-10/h1-2,5-7H,3-4H2,(H,14,16)
InChIKeyCVUZXRALGQHROX-UHFFFAOYSA-N
XLogP2.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 55175820
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 63238691
4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 78948417
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739
N-(3-amino-3-oxopropyl)-6-bromopyridine-3-carboxamide
CID 66463277
6-bromo-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 66465126
6-bromo-N-[2-(cyclopenten-1-yl)ethyl]pyridine-3-carboxamide
CID 103842426

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 66462176) is 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1nccs1)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is CVUZXRALGQHROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c12-9-2-1-8(7-15-9)11(16)14-4-3-10-13-5-6-17-10/h1-2,5-7H,3-4H2,(H,14,16).
What are the key properties of 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 66462176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).