4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole

C13H8BrN3S — CID 79839724

IUPAC4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3ncccn3)n2)cc1
InChIInChI=1S/C13H8BrN3S/c14-10-4-2-9(3-5-10)11-8-18-13(17-11)12-15-6-1-7-16-12/h1-8H
InChIKeySGDGULRUKPPHQM-UHFFFAOYSA-N
MW318.20 g/mol
LogP4.03
Rot. Bonds2

About 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole

4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole (PubChem CID 79839724) has the molecular formula C13H8BrN3S and a molecular weight of 318.20 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
PubChem CID79839724
Molecular FormulaC13H8BrN3S
Molecular Weight318.20 g/mol
Exact Mass316.96
IUPAC Name4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole
SMILESBrc1ccc(-c2csc(-c3ncccn3)n2)cc1
InChIInChI=1S/C13H8BrN3S/c14-10-4-2-9(3-5-10)11-8-18-13(17-11)12-15-6-1-7-16-12/h1-8H
InChIKeySGDGULRUKPPHQM-UHFFFAOYSA-N
XLogP4.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
CID 79839828
4-(3-bromophenyl)-2-(4-bromophenyl)-1,3-thiazole
CID 78907524
[4-[4-(4-bromophenyl)-1,3-thiazol-2-yl]phenyl]-pentafluoro-λ6-sulfane
CID 102334757
4-(4-bromophenyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 78907531
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(3,4-dimethoxyphenyl)-1,3-thiazole
CID 46339236
2-(3-bromo-4-methylphenyl)-4-(4-bromophenyl)-1,3-thiazole
CID 107916033
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
4-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxylic acid
CID 79690297
2-[2-(4-bromophenyl)-1,3-thiazol-4-yl]aniline
CID 61269008
4-(4-bromophenyl)-N-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 17132316
4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole
CID 79839439

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole (CID 79839724) is 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole is Brc1ccc(-c2csc(-c3ncccn3)n2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole?
The InChIKey is SGDGULRUKPPHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3S/c14-10-4-2-9(3-5-10)11-8-18-13(17-11)12-15-6-1-7-16-12/h1-8H.
What are the key properties of 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole?
4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole has a molecular weight of 318.20 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-pyrimidin-2-yl-1,3-thiazole is sourced from PubChem (CID 79839724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).