4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole

C15H10BrFN2S — CID 114289439

IUPAC4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccncc2F)nc1-c1ccccc1Br
InChIInChI=1S/C15H10BrFN2S/c1-9-14(10-4-2-3-5-12(10)16)19-15(20-9)11-6-7-18-8-13(11)17/h2-8H,1H3
InChIKeyWXNSLKQEWHMCKR-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.08
Rot. Bonds2

About 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole

4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole (PubChem CID 114289439) has the molecular formula C15H10BrFN2S and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole
PubChem CID114289439
Molecular FormulaC15H10BrFN2S
Molecular Weight349.23 g/mol
Exact Mass347.97
IUPAC Name4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccncc2F)nc1-c1ccccc1Br
InChIInChI=1S/C15H10BrFN2S/c1-9-14(10-4-2-3-5-12(10)16)19-15(20-9)11-6-7-18-8-13(11)17/h2-8H,1H3
InChIKeyWXNSLKQEWHMCKR-UHFFFAOYSA-N
XLogP5.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.23
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-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

4-(2-bromophenyl)-2-(2-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 107113804
4-(2-bromophenyl)-2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazole
CID 79832738
2-(2-bromophenyl)-4-(4-bromophenyl)-5-methyl-1,3-thiazole
CID 79831174
4-(2-bromophenyl)-5-methyl-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 79839091
4-(2-bromophenyl)-2-(furan-3-yl)-5-methyl-1,3-thiazole
CID 79839948
4-(2-bromophenyl)-5-methyl-1,3-thiazol-2-amine
CID 79838808
2-(3-fluoro-4-pyridinyl)-1,3-benzothiazole
CID 118450393
4-bromo-2-(2-bromophenyl)-5-methyl-1,3-thiazole
CID 84609516
4-bromo-2-(3-fluoro-4-pyridinyl)-1,3-thiazole
CID 104739144
4-(2-bromophenyl)-3-(3-fluoro-4-pyridinyl)-1-methylpyrazol-5-amine
CID 64949706
5-bromo-2-(2-bromophenyl)-4-methyl-1,3-thiazole
CID 116887939
4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole
CID 107932634

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole (CID 114289439) is 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole is Cc1sc(-c2ccncc2F)nc1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole?
The InChIKey is WXNSLKQEWHMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2S/c1-9-14(10-4-2-3-5-12(10)16)19-15(20-9)11-6-7-18-8-13(11)17/h2-8H,1H3.
What are the key properties of 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole?
4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole has a molecular weight of 349.23 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-2-(3-fluoro-4-pyridinyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 114289439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).