4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole

C11H9BrClNS — CID 82124733

IUPAC4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
SMILESClCCc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H9BrClNS/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5-6H2
InChIKeyPIWHDWUBPGPWKU-UHFFFAOYSA-N
MW302.62 g/mol
LogP4.35
Rot. Bonds3

About 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole

4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole (PubChem CID 82124733) has the molecular formula C11H9BrClNS and a molecular weight of 302.62 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
PubChem CID82124733
Molecular FormulaC11H9BrClNS
Molecular Weight302.62 g/mol
Exact Mass300.93
IUPAC Name4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole
SMILESClCCc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C11H9BrClNS/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5-6H2
InChIKeyPIWHDWUBPGPWKU-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.62
LogP ≤ 54.35
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

2-(2-chloroethyl)-4-(4-fluorophenyl)-1,3-thiazole
CID 82117610
4-(4-bromophenyl)-2-(2-phenylethyl)-1,3-thiazole
CID 79839439
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
N-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 55129658
1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 62645718
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
2-(2-chloroethyl)-4-(5-chlorothiophen-2-yl)-1,3-thiazole
CID 82122307
4-[4-(4-bromophenyl)phenyl]-1,3-thiazol-2-amine
CID 2756846
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969622
4-(4-bromothiophen-2-yl)-2-(3-chloropropyl)-1,3-thiazole
CID 116968611
2-(chloromethyl)-4-pyridin-4-yl-1,3-thiazole
CID 14152289
4-(4-bromophenyl)-2-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 79831568

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole?
The IUPAC name of 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole (CID 82124733) is 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole is ClCCc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole?
The InChIKey is PIWHDWUBPGPWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNS/c12-9-3-1-8(2-4-9)10-7-15-11(14-10)5-6-13/h1-4,7H,5-6H2.
What are the key properties of 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole?
4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole has a molecular weight of 302.62 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-(2-chloroethyl)-1,3-thiazole is sourced from PubChem (CID 82124733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).