4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole

C8H4BrFN2S — CID 104739144

IUPAC4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole
SMILESFc1cnccc1-c1nc(Br)cs1
InChIInChI=1S/C8H4BrFN2S/c9-7-4-13-8(12-7)5-1-2-11-3-6(5)10/h1-4H
InChIKeyBNSBTCHDYQKQGI-UHFFFAOYSA-N
MW259.10 g/mol
LogP3.11
Rot. Bonds1

About 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole

4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole (PubChem CID 104739144) has the molecular formula C8H4BrFN2S and a molecular weight of 259.10 g/mol. Its IUPAC name is 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole
PubChem CID104739144
Molecular FormulaC8H4BrFN2S
Molecular Weight259.10 g/mol
Exact Mass257.93
IUPAC Name4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole
SMILESFc1cnccc1-c1nc(Br)cs1
InChIInChI=1S/C8H4BrFN2S/c9-7-4-13-8(12-7)5-1-2-11-3-6(5)10/h1-4H
InChIKeyBNSBTCHDYQKQGI-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole 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

2-(3-fluoro-4-pyridinyl)-1,3-benzothiazole
CID 118450393
3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole
CID 104739168
4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole
CID 114289439
5-(3-fluoro-4-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 106521619
4-(2,3-difluorophenyl)-3-fluoropyridine
CID 118801718
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
3-[[2-(3-fluoro-4-pyridinyl)-1,3-thiazole-4-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 71239889
4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
CID 116892245
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
4-tert-butyl-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 114359390
4-(2-fluorophenyl)-2-(4-propyl-3-pyridinyl)-1,3-thiazole
CID 90958489
3-bromo-5-(3-fluoro-4-pyridinyl)-6-(5-fluoro-3-pyridinyl)pyridin-2-amine
CID 122508276

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole (CID 104739144) is 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole is Fc1cnccc1-c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole?
The InChIKey is BNSBTCHDYQKQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2S/c9-7-4-13-8(12-7)5-1-2-11-3-6(5)10/h1-4H.
What are the key properties of 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole?
4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole has a molecular weight of 259.10 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 104739144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).