2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole

C14H8BrCl2N3S — CID 104771000

IUPAC2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)c(-c3cccc(Br)c3)c(Cl)n2)n1
InChIInChI=1S/C14H8BrCl2N3S/c1-7-6-21-14(18-7)13-19-11(16)10(12(17)20-13)8-3-2-4-9(15)5-8/h2-6H,1H3
InChIKeyLREHLRQMGULQBS-UHFFFAOYSA-N
MW401.12 g/mol
LogP5.64
Rot. Bonds2

About 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole

2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole (PubChem CID 104771000) has the molecular formula C14H8BrCl2N3S and a molecular weight of 401.12 g/mol. Its IUPAC name is 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole
PubChem CID104771000
Molecular FormulaC14H8BrCl2N3S
Molecular Weight401.12 g/mol
Exact Mass398.90
IUPAC Name2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(-c2nc(Cl)c(-c3cccc(Br)c3)c(Cl)n2)n1
InChIInChI=1S/C14H8BrCl2N3S/c1-7-6-21-14(18-7)13-19-11(16)10(12(17)20-13)8-3-2-4-9(15)5-8/h2-6H,1H3
InChIKeyLREHLRQMGULQBS-UHFFFAOYSA-N
XLogP5.64
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromophenyl)-4,6-dichloro-2-(5-chlorothiophen-2-yl)pyrimidine
CID 79431944
5-(3-bromophenyl)-4,6-dichloro-2-ethylpyrimidine
CID 79440116
5-(3-bromophenyl)-2-tert-butyl-4,6-dichloropyrimidine
CID 79440195
5-(3-bromophenyl)-4,6-dichloro-2-pyridin-3-ylpyrimidine
CID 79431669
2-(3-bromophenyl)-4-methoxy-1,3-thiazole
CID 116891841
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
2-(3-bromophenyl)-4-chloro-5-methyl-6-phenylpyrimidine
CID 104845834
5-(3-bromophenyl)-4,6-dichloro-2-(3-methylbutyl)pyrimidine
CID 79440504
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
4-(3-bromophenyl)-2-(2-methylphenyl)-1,3-thiazole
CID 78908720
2-(4-bromophenyl)-4-methyl-1,3-thiazole;ethane
CID 145337663
3-(4-methyl-1,3-thiazol-2-yl)aniline
CID 7148568

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole (CID 104771000) is 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole is Cc1csc(-c2nc(Cl)c(-c3cccc(Br)c3)c(Cl)n2)n1.
What is the InChIKey of 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole?
The InChIKey is LREHLRQMGULQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2N3S/c1-7-6-21-14(18-7)13-19-11(16)10(12(17)20-13)8-3-2-4-9(15)5-8/h2-6H,1H3.
What are the key properties of 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole?
2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole has a molecular weight of 401.12 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromophenyl)-4,6-dichloropyrimidin-2-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 104771000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).