4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole

C15H8BrF2NS — CID 79839828

IUPAC4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1F
InChIInChI=1S/C15H8BrF2NS/c16-11-4-1-9(2-5-11)14-8-20-15(19-14)10-3-6-12(17)13(18)7-10/h1-8H
InChIKeyMQRBSGAEAXGOMJ-UHFFFAOYSA-N
MW352.20 g/mol
LogP5.52
Rot. Bonds2

About 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole

4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole (PubChem CID 79839828) has the molecular formula C15H8BrF2NS and a molecular weight of 352.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
PubChem CID79839828
Molecular FormulaC15H8BrF2NS
Molecular Weight352.20 g/mol
Exact Mass350.95
IUPAC Name4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
SMILESFc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1F
InChIInChI=1S/C15H8BrF2NS/c16-11-4-1-9(2-5-11)14-8-20-15(19-14)10-3-6-12(17)13(18)7-10/h1-8H
InChIKeyMQRBSGAEAXGOMJ-UHFFFAOYSA-N
XLogP5.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.20
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
3-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667884
[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
CID 102334757
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
[4-[2-(3-bromo-4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 82788931
4-(3,4-difluorophenyl)-2-pyridin-3-yl-1,3-thiazole
CID 2800024
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
4-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1H-pyrazol-5-amine
CID 60650205
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 79839724
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole (CID 79839828) is 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole is Fc1ccc(-c2nc(-c3ccc(Br)cc3)cs2)cc1F.
What is the InChIKey of 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole?
The InChIKey is MQRBSGAEAXGOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF2NS/c16-11-4-1-9(2-5-11)14-8-20-15(19-14)10-3-6-12(17)13(18)7-10/h1-8H.
What are the key properties of 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole?
4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole has a molecular weight of 352.20 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole is sourced from PubChem (CID 79839828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).