4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole

C10H7BrClNS — CID 119093841

IUPAC4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
SMILESClc1cccc(-c2nc(CBr)cs2)c1
InChIInChI=1S/C10H7BrClNS/c11-5-9-6-14-10(13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2
InChIKeyKDHVONRMVUIAKI-UHFFFAOYSA-N
MW288.60 g/mol
LogP4.36
Rot. Bonds2

About 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole

4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole (PubChem CID 119093841) has the molecular formula C10H7BrClNS and a molecular weight of 288.60 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
PubChem CID119093841
Molecular FormulaC10H7BrClNS
Molecular Weight288.60 g/mol
Exact Mass286.92
IUPAC Name4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole
SMILESClc1cccc(-c2nc(CBr)cs2)c1
InChIInChI=1S/C10H7BrClNS/c11-5-9-6-14-10(13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2
InChIKeyKDHVONRMVUIAKI-UHFFFAOYSA-N
XLogP4.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.60
LogP ≤ 54.36
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

1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
4-(bromomethyl)-2-(3-ethoxyphenyl)-1,3-thiazole
CID 82516061
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
CID 112690258
[4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152339
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-prop-2-enylacetamide
CID 9399582
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195276
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 9488944
2-(4-chlorophenyl)-5-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-4-oxopentanoic acid
CID 162155202
N'-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 17495634

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole?
The IUPAC name of 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole (CID 119093841) is 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole.
What is the SMILES notation for 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole?
The canonical SMILES for 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole is Clc1cccc(-c2nc(CBr)cs2)c1.
What is the InChIKey of 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole?
The InChIKey is KDHVONRMVUIAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClNS/c11-5-9-6-14-10(13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2.
What are the key properties of 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole?
4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole has a molecular weight of 288.60 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(3-chlorophenyl)-1,3-thiazole is sourced from PubChem (CID 119093841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).