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

C17H13BrFNS — CID 107932634

IUPAC4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole
SMILESCc1ccc(F)c(-c2nc(-c3cccc(Br)c3)c(C)s2)c1
InChIInChI=1S/C17H13BrFNS/c1-10-6-7-15(19)14(8-10)17-20-16(11(2)21-17)12-4-3-5-13(18)9-12/h3-9H,1-2H3
InChIKeyIJADZTZYEMDSPP-UHFFFAOYSA-N
MW362.27 g/mol
LogP6.00
Rot. Bonds2

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

4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole (PubChem CID 107932634) has the molecular formula C17H13BrFNS and a molecular weight of 362.27 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole
PubChem CID107932634
Molecular FormulaC17H13BrFNS
Molecular Weight362.27 g/mol
Exact Mass360.99
IUPAC Name4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole
SMILESCc1ccc(F)c(-c2nc(-c3cccc(Br)c3)c(C)s2)c1
InChIInChI=1S/C17H13BrFNS/c1-10-6-7-15(19)14(8-10)17-20-16(11(2)21-17)12-4-3-5-13(18)9-12/h3-9H,1-2H3
InChIKeyIJADZTZYEMDSPP-UHFFFAOYSA-N
XLogP6.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromophenyl)-2-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazole
CID 79831802
4-(3-bromophenyl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole
CID 79839270
1-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-N,N-dimethylmethanamine
CID 79838986
2-(3-bromophenyl)-5-methyl-4-thiophen-2-yl-1,3-thiazole
CID 79831085
4-(3-bromophenyl)-2-(methoxymethyl)-5-methyl-1,3-thiazole
CID 79840119
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
4-(3-bromophenyl)-2-butan-2-yl-5-methyl-1,3-thiazole
CID 79838983
2-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 114079045
2-[2-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-amine
CID 116884518
4-(4-bromophenyl)-2-(5-fluoro-2-methylphenyl)-5-methyl-1,3-thiazole
CID 79831720
6-chloro-2-(2-fluoro-5-methylphenyl)-1,3-benzothiazole
CID 102236319
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole?
The IUPAC name of 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole (CID 107932634) is 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole?
The canonical SMILES for 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole is Cc1ccc(F)c(-c2nc(-c3cccc(Br)c3)c(C)s2)c1.
What is the InChIKey of 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole?
The InChIKey is IJADZTZYEMDSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNS/c1-10-6-7-15(19)14(8-10)17-20-16(11(2)21-17)12-4-3-5-13(18)9-12/h3-9H,1-2H3.
What are the key properties of 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole?
4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole has a molecular weight of 362.27 g/mol, XLogP of 6.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(2-fluoro-5-methylphenyl)-5-methyl-1,3-thiazole is sourced from PubChem (CID 107932634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).