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

C15H10BrFN2S — CID 115941752

IUPAC2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccc(Br)cc2)nc1-c1ccc(F)cn1
InChIInChI=1S/C15H10BrFN2S/c1-9-14(13-7-6-12(17)8-18-13)19-15(20-9)10-2-4-11(16)5-3-10/h2-8H,1H3
InChIKeyGVZPFHIIGPBNDA-UHFFFAOYSA-N
MW349.23 g/mol
LogP5.08
Rot. Bonds2

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

2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole (PubChem CID 115941752) has the molecular formula C15H10BrFN2S and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole
PubChem CID115941752
Molecular FormulaC15H10BrFN2S
Molecular Weight349.23 g/mol
Exact Mass347.97
IUPAC Name2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole
SMILESCc1sc(-c2ccc(Br)cc2)nc1-c1ccc(F)cn1
InChIInChI=1S/C15H10BrFN2S/c1-9-14(13-7-6-12(17)8-18-13)19-15(20-9)10-2-4-11(16)5-3-10/h2-8H,1H3
InChIKeyGVZPFHIIGPBNDA-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole?
The IUPAC name of 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole (CID 115941752) is 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole is Cc1sc(-c2ccc(Br)cc2)nc1-c1ccc(F)cn1.
What is the InChIKey of 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole?
The InChIKey is GVZPFHIIGPBNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2S/c1-9-14(13-7-6-12(17)8-18-13)19-15(20-9)10-2-4-11(16)5-3-10/h2-8H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole?
2-(4-bromophenyl)-4-(5-fluoro-2-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 2-(4-bromophenyl)-4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 115941752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).