2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole

C8H7BrN2OS — CID 63383961

IUPAC2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole
SMILESBrc1nnc(CCc2ccco2)s1
InChIInChI=1S/C8H7BrN2OS/c9-8-11-10-7(13-8)4-3-6-2-1-5-12-6/h1-2,5H,3-4H2
InChIKeyAWWZSVRXAJDQNS-UHFFFAOYSA-N
MW259.13 g/mol
LogP2.68
Rot. Bonds3

About 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole

2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole (PubChem CID 63383961) has the molecular formula C8H7BrN2OS and a molecular weight of 259.13 g/mol. Its IUPAC name is 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole
PubChem CID63383961
Molecular FormulaC8H7BrN2OS
Molecular Weight259.13 g/mol
Exact Mass257.95
IUPAC Name2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole
SMILESBrc1nnc(CCc2ccco2)s1
InChIInChI=1S/C8H7BrN2OS/c9-8-11-10-7(13-8)4-3-6-2-1-5-12-6/h1-2,5H,3-4H2
InChIKeyAWWZSVRXAJDQNS-UHFFFAOYSA-N
XLogP2.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.13
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)ethyl]-5-[4-[5-[2-(furan-2-yl)ethylamino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-amine
CID 74767785
2-bromo-5-(furan-2-yl)-1,3,4-thiadiazole
CID 63383548
5-bromo-2-(furan-2-ylmethyl)-1,3-thiazole
CID 117259115
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622852
2-bromo-5-(furan-2-ylmethyl)-1,3-thiazole
CID 117259797
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-(furan-2-yl)ethanamine
CID 115710435
2-[2-(furan-2-yl)ethyl]-1,3-benzothiazole-6-carboxylic acid
CID 107470275
N-[4-[2-(furan-2-yl)ethylcarbamoyl]phenyl]-5-propyl-1,3,4-thiadiazole-2-carboxamide
CID 46327584
4-bromo-N-[2-(furan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 79400362
5-(furan-2-ylmethoxymethyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607754
2-(furan-2-yl)ethanesulfonamide
CID 174885550
2-(3-chloropropyl)furan
CID 12549641

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole (CID 63383961) is 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole is Brc1nnc(CCc2ccco2)s1.
What is the InChIKey of 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole?
The InChIKey is AWWZSVRXAJDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2OS/c9-8-11-10-7(13-8)4-3-6-2-1-5-12-6/h1-2,5H,3-4H2.
What are the key properties of 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole?
2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole has a molecular weight of 259.13 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(furan-2-yl)ethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 63383961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).