2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole

C8H4BrCl2NS2 — CID 102842144

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole
SMILESClCc1csc(-c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C8H4BrCl2NS2/c9-5-1-6(14-7(5)11)8-12-4(2-10)3-13-8/h1,3H,2H2
InChIKeyOQLXIZYSWDTQRC-UHFFFAOYSA-N
MW329.07 g/mol
LogP5.03
Rot. Bonds2

About 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole

2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole (PubChem CID 102842144) has the molecular formula C8H4BrCl2NS2 and a molecular weight of 329.07 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole
PubChem CID102842144
Molecular FormulaC8H4BrCl2NS2
Molecular Weight329.07 g/mol
Exact Mass326.83
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole
SMILESClCc1csc(-c2cc(Br)c(Cl)s2)n1
InChIInChI=1S/C8H4BrCl2NS2/c9-5-1-6(14-7(5)11)8-12-4(2-10)3-13-8/h1,3H,2H2
InChIKeyOQLXIZYSWDTQRC-UHFFFAOYSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.07
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole
CID 102842143
2-(4-bromothiophen-3-yl)-4-(chloromethyl)-1,3-thiazole
CID 130157549
2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole
CID 114453845
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191
4-(chloromethyl)-2-(2,3,5,6-tetramethylphenyl)-1,3-thiazole
CID 82091892
2-(4-bromo-5-chlorothiophen-2-yl)-4-chloro-6-(2-methylpropyl)pyrimidine
CID 102842725
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
2-(4-bromo-5-chlorothiophen-2-yl)pyrimidin-4-amine
CID 102843847
N'-[2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 55857445
2-(4-bromo-5-chlorothiophen-2-yl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 102842182
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 61281842
2-(7-chloro-1,3-benzodioxol-5-yl)-4-(chloromethyl)-1,3-thiazole
CID 43143705

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole (CID 102842144) is 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole is ClCc1csc(-c2cc(Br)c(Cl)s2)n1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole?
The InChIKey is OQLXIZYSWDTQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrCl2NS2/c9-5-1-6(14-7(5)11)8-12-4(2-10)3-13-8/h1,3H,2H2.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole?
2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole has a molecular weight of 329.07 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole is sourced from PubChem (CID 102842144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).