4-benzyl-5-bromo-1,3-thiazole

C10H8BrNS — CID 151110757

IUPAC4-benzyl-5-bromo-1,3-thiazole
SMILESBrc1scnc1Cc1ccccc1
InChIInChI=1S/C10H8BrNS/c11-10-9(12-7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyMQBQHLUCZCUWLP-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.50
Rot. Bonds2

About 4-benzyl-5-bromo-1,3-thiazole

4-benzyl-5-bromo-1,3-thiazole (PubChem CID 151110757) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 4-benzyl-5-bromo-1,3-thiazole.

Molecular Properties

Compound Name4-benzyl-5-bromo-1,3-thiazole
PubChem CID151110757
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name4-benzyl-5-bromo-1,3-thiazole
SMILESBrc1scnc1Cc1ccccc1
InChIInChI=1S/C10H8BrNS/c11-10-9(12-7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyMQBQHLUCZCUWLP-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-bromo-1,3-thiazole?
The IUPAC name of 4-benzyl-5-bromo-1,3-thiazole (CID 151110757) is 4-benzyl-5-bromo-1,3-thiazole.
What is the SMILES notation for 4-benzyl-5-bromo-1,3-thiazole?
The canonical SMILES for 4-benzyl-5-bromo-1,3-thiazole is Brc1scnc1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-bromo-1,3-thiazole?
The InChIKey is MQBQHLUCZCUWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c11-10-9(12-7-13-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 4-benzyl-5-bromo-1,3-thiazole?
4-benzyl-5-bromo-1,3-thiazole has a molecular weight of 254.15 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-bromo-1,3-thiazole is sourced from PubChem (CID 151110757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).