3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C12H12BrN3OS — CID 108748929

IUPAC3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCBr)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C12H12BrN3OS/c13-5-4-11(17)15-7-9-8-18-12(16-9)10-3-1-2-6-14-10/h1-3,6,8H,4-5,7H2,(H,15,17)
InChIKeyDLTORBIBQSSKAH-UHFFFAOYSA-N
MW326.22 g/mol
LogP2.61
Rot. Bonds5

About 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide

3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 108748929) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID108748929
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESO=C(CCBr)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C12H12BrN3OS/c13-5-4-11(17)15-7-9-8-18-12(16-9)10-3-1-2-6-14-10/h1-3,6,8H,4-5,7H2,(H,15,17)
InChIKeyDLTORBIBQSSKAH-UHFFFAOYSA-N
XLogP2.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide 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

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 108748809
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
3-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108748855
2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770816
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
N-[(4-chlorophenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434882
N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329763
1-cyclohexyl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 108784317
N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627595
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34234720

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 108748929) is 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is O=C(CCBr)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is DLTORBIBQSSKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c13-5-4-11(17)15-7-9-8-18-12(16-9)10-3-1-2-6-14-10/h1-3,6,8H,4-5,7H2,(H,15,17).
What are the key properties of 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 326.22 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 108748929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).