4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole

C15H12BrN3S — CID 115531608

IUPAC4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole
SMILESCc1nccc(-c2nc(-c3ccc(Br)cc3)c(C)s2)n1
InChIInChI=1S/C15H12BrN3S/c1-9-14(11-3-5-12(16)6-4-11)19-15(20-9)13-7-8-17-10(2)18-13/h3-8H,1-2H3
InChIKeyRECAXFQDDCJNLS-UHFFFAOYSA-N
MW346.25 g/mol
LogP4.65
Rot. Bonds2

About 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole

4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole (PubChem CID 115531608) has the molecular formula C15H12BrN3S and a molecular weight of 346.25 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole
PubChem CID115531608
Molecular FormulaC15H12BrN3S
Molecular Weight346.25 g/mol
Exact Mass344.99
IUPAC Name4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole
SMILESCc1nccc(-c2nc(-c3ccc(Br)cc3)c(C)s2)n1
InChIInChI=1S/C15H12BrN3S/c1-9-14(11-3-5-12(16)6-4-11)19-15(20-9)13-7-8-17-10(2)18-13/h3-8H,1-2H3
InChIKeyRECAXFQDDCJNLS-UHFFFAOYSA-N
XLogP4.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole (CID 115531608) is 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole is Cc1nccc(-c2nc(-c3ccc(Br)cc3)c(C)s2)n1.
What is the InChIKey of 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole?
The InChIKey is RECAXFQDDCJNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3S/c1-9-14(11-3-5-12(16)6-4-11)19-15(20-9)13-7-8-17-10(2)18-13/h3-8H,1-2H3.
What are the key properties of 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole?
4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole has a molecular weight of 346.25 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-methyl-2-(2-methylpyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 115531608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).