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

C8H4Br2ClNS2 — CID 102842143

IUPAC4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole
SMILESClCc1csc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C8H4Br2ClNS2/c9-5-1-6(14-7(5)10)8-12-4(2-11)3-13-8/h1,3H,2H2
InChIKeyUHBRFEAOFNQHDT-UHFFFAOYSA-N
MW373.52 g/mol
LogP5.14
Rot. Bonds2

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

4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole (PubChem CID 102842143) has the molecular formula C8H4Br2ClNS2 and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole
PubChem CID102842143
Molecular FormulaC8H4Br2ClNS2
Molecular Weight373.52 g/mol
Exact Mass370.78
IUPAC Name4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole
SMILESClCc1csc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C8H4Br2ClNS2/c9-5-1-6(14-7(5)10)8-12-4(2-11)3-13-8/h1,3H,2H2
InChIKeyUHBRFEAOFNQHDT-UHFFFAOYSA-N
XLogP5.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.52
LogP ≤ 55.14
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

2-(4-bromo-5-chlorothiophen-2-yl)-4-(chloromethyl)-1,3-thiazole
CID 102842144
2-(4-bromothiophen-3-yl)-4-(chloromethyl)-1,3-thiazole
CID 130157549
1-[2-(4,5-dibromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
CID 102843573
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-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole
CID 114453845
5-(1-benzothiophen-2-yl)-3-(chloromethyl)-1,2-oxazole
CID 114911405
2-(2-bromo-5-fluorophenyl)-4-(3-chloropropyl)-1,3-thiazole
CID 107923695
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
4-(chloromethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole
CID 2095697
2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(chloromethyl)-1,3-thiazole
CID 61034902
2,3-dibromo-5-thiophen-2-ylthiophene
CID 24796079

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole (CID 102842143) is 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole is ClCc1csc(-c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole?
The InChIKey is UHBRFEAOFNQHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Br2ClNS2/c9-5-1-6(14-7(5)10)8-12-4(2-11)3-13-8/h1,3H,2H2.
What are the key properties of 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole?
4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole has a molecular weight of 373.52 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4,5-dibromothiophen-2-yl)-1,3-thiazole is sourced from PubChem (CID 102842143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).