5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole

C8H6BrNOS — CID 117259115

IUPAC5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
SMILESBrc1cnc(Cc2ccco2)s1
InChIInChI=1S/C8H6BrNOS/c9-7-5-10-8(12-7)4-6-2-1-3-11-6/h1-3,5H,4H2
InChIKeySCFMHWSVBSXNNU-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.09
Rot. Bonds2

About 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole

5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole (PubChem CID 117259115) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
PubChem CID117259115
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
SMILESBrc1cnc(Cc2ccco2)s1
InChIInChI=1S/C8H6BrNOS/c9-7-5-10-8(12-7)4-6-2-1-3-11-6/h1-3,5H,4H2
InChIKeySCFMHWSVBSXNNU-UHFFFAOYSA-N
XLogP3.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole
CID 117259797
2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole
CID 63383961
2-[(5-bromo-1,3-thiazol-2-yl)methylsulfanyl]-1,3-oxazole
CID 131207073
5-(furan-2-ylmethyl)oxadiazole
CID 174840733
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
5-(furan-2-ylmethyl)-2,3-dimethylpyrazine
CID 12558437
2-[2-(5-bromo-1,3-thiazol-2-yl)ethyl]guanidine
CID 130616108
N-(5-bromo-1,3-thiazol-2-yl)furan-2-carboxamide
CID 60655632
1-(furan-2-yl)-N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]methanamine
CID 53273448
5-[2-[5-(furan-2-ylmethyl)-2H-triazol-4-yl]ethyl]-1H-imidazol-2-amine;hydrochloride
CID 67064112
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388
5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole (CID 117259115) is 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole is Brc1cnc(Cc2ccco2)s1.
What is the InChIKey of 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole?
The InChIKey is SCFMHWSVBSXNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c9-7-5-10-8(12-7)4-6-2-1-3-11-6/h1-3,5H,4H2.
What are the key properties of 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole?
5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole has a molecular weight of 244.11 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 117259115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).