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

C8H6BrNOS — CID 117259797

IUPAC2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole
SMILESBrc1ncc(Cc2ccco2)s1
InChIInChI=1S/C8H6BrNOS/c9-8-10-5-7(12-8)4-6-2-1-3-11-6/h1-3,5H,4H2
InChIKeyCHRFWQRXODQYNM-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.09
Rot. Bonds2

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

2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole (PubChem CID 117259797) has the molecular formula C8H6BrNOS and a molecular weight of 244.11 g/mol. Its IUPAC name is 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole
PubChem CID117259797
Molecular FormulaC8H6BrNOS
Molecular Weight244.11 g/mol
Exact Mass242.94
IUPAC Name2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole
SMILESBrc1ncc(Cc2ccco2)s1
InChIInChI=1S/C8H6BrNOS/c9-8-10-5-7(12-8)4-6-2-1-3-11-6/h1-3,5H,4H2
InChIKeyCHRFWQRXODQYNM-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

5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
CID 117259115
2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole
CID 63383961
5-(furan-2-ylmethyl)oxadiazole
CID 174840733
5-(furan-2-ylmethyl)-2,3-dimethylpyrazine
CID 12558437
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)-N-methylmethanamine
CID 79764459
2-(furan-2-ylmethyl)-1,3-oxazole-5-carboxylic acid
CID 82402388
5-bromo-N-(furan-2-ylmethyl)pyridin-2-amine
CID 28541636
2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087564
1-bromo-3-(furan-2-ylmethyl)imidazo[1,5-a]pyridin-5-amine
CID 117250918
5-(furan-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 43243212
3-(furan-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117140006
2-(furan-2-ylmethyl)-3-methylthieno[3,2-b]pyridin-7-amine
CID 154681301

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole (CID 117259797) is 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole is Brc1ncc(Cc2ccco2)s1.
What is the InChIKey of 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole?
The InChIKey is CHRFWQRXODQYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrNOS/c9-8-10-5-7(12-8)4-6-2-1-3-11-6/h1-3,5H,4H2.
What are the key properties of 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole?
2-bromo-5-(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 2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 117259797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).