5-(bromomethyl)-2-chloro-1,3-thiazole

C4H3BrClNS — CID 10130560

IUPAC5-(bromomethyl)-2-chloro-1,3-thiazole
SMILESClc1ncc(CBr)s1
InChIInChI=1S/C4H3BrClNS/c5-1-3-2-7-4(6)8-3/h2H,1H2
InChIKeyOWPROLAUPCMXRS-UHFFFAOYSA-N
MW212.50 g/mol
LogP2.69
Rot. Bonds1

About 5-(bromomethyl)-2-chloro-1,3-thiazole

5-(bromomethyl)-2-chloro-1,3-thiazole (PubChem CID 10130560) has the molecular formula C4H3BrClNS and a molecular weight of 212.50 g/mol. Its IUPAC name is 5-(bromomethyl)-2-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-chloro-1,3-thiazole
PubChem CID10130560
Molecular FormulaC4H3BrClNS
Molecular Weight212.50 g/mol
Exact Mass210.89
IUPAC Name5-(bromomethyl)-2-chloro-1,3-thiazole
SMILESClc1ncc(CBr)s1
InChIInChI=1S/C4H3BrClNS/c5-1-3-2-7-4(6)8-3/h2H,1H2
InChIKeyOWPROLAUPCMXRS-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methylthiazole
CID 137980
2-Bromo-5-methyl-1,3-thiazole
CID 21906106
2-Bromo-1,3-thiazole-5-carbonitrile
CID 17860952
2-Chloro-5-chloromethylthiazole
CID 2763179
2-Chloro-5-methyl-1,3-thiazole
CID 10997083
5-(Chloromethyl)-1,3-thiazole hydrochloride
CID 22319457
2-Chlorothiazole-5-carbonitrile
CID 1485222
2-Bromo-5-(bromomethyl)-1,3-thiazole
CID 9816551
2-Fluoro-5-methyl-1,3-thiazole
CID 20691940
2-Bromo-5-(trifluoromethyl)-1,3-thiazole
CID 21802816
2-Iodo-5-methyl-1,3-thiazole
CID 23154586
5-(Bromomethyl)-2-methyl-1,3-thiazole
CID 55250786

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-chloro-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-2-chloro-1,3-thiazole (CID 10130560) is 5-(bromomethyl)-2-chloro-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-2-chloro-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-2-chloro-1,3-thiazole is Clc1ncc(CBr)s1.
What is the InChIKey of 5-(bromomethyl)-2-chloro-1,3-thiazole?
The InChIKey is OWPROLAUPCMXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClNS/c5-1-3-2-7-4(6)8-3/h2H,1H2.
What are the key properties of 5-(bromomethyl)-2-chloro-1,3-thiazole?
5-(bromomethyl)-2-chloro-1,3-thiazole has a molecular weight of 212.50 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-chloro-1,3-thiazole is sourced from PubChem (CID 10130560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).