5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole

C5HBrClN3S2 — CID 164654032

IUPAC5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole
SMILESClc1nsc(-c2ncsc2Br)n1
InChIInChI=1S/C5HBrClN3S2/c6-3-2(8-1-11-3)4-9-5(7)10-12-4/h1H
InChIKeySAKZENQVWPEFKO-UHFFFAOYSA-N
MW282.58 g/mol
LogP3.08
Rot. Bonds1

About 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole

5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole (PubChem CID 164654032) has the molecular formula C5HBrClN3S2 and a molecular weight of 282.58 g/mol. Its IUPAC name is 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole
PubChem CID164654032
Molecular FormulaC5HBrClN3S2
Molecular Weight282.58 g/mol
Exact Mass280.85
IUPAC Name5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole
SMILESClc1nsc(-c2ncsc2Br)n1
InChIInChI=1S/C5HBrClN3S2/c6-3-2(8-1-11-3)4-9-5(7)10-12-4/h1H
InChIKeySAKZENQVWPEFKO-UHFFFAOYSA-N
XLogP3.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.58
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-(3-chlorothiophen-2-yl)-1,2,4-thiadiazole
CID 102944112
5-(4-bromo-2-fluorophenyl)-3-chloro-1,2,4-thiadiazole
CID 102944127
3-chloro-5-(5-methylpyrazin-2-yl)-1,2,4-thiadiazole
CID 102944047
3-chloro-5-(3,4,5-trifluorophenyl)-1,2,4-thiadiazole
CID 102943984
3-chloro-5-(2-chlorofuran-3-yl)-1,2,4-thiadiazole
CID 106694860
5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole
CID 82135048
5-bromo-4-pyridin-3-yl-1,3-thiazole
CID 66520118
3-chloro-5-quinoxalin-5-yl-1,2,4-thiadiazole
CID 102944118
3-chloro-5-(2,4-dimethylphenyl)-1,2,4-thiadiazole
CID 102944087
3-chloro-5-(2,4-difluoro-5-methylphenyl)-1,2,4-thiadiazole
CID 102943957
5-bromo-1,3-thiazole-4-sulfonyl chloride
CID 171935547
5-(5-bromo-1,3-thiazol-4-yl)-4-fluoro-1H-pyrazol-3-amine
CID 165492540

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole?
The IUPAC name of 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole (CID 164654032) is 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole is Clc1nsc(-c2ncsc2Br)n1.
What is the InChIKey of 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole?
The InChIKey is SAKZENQVWPEFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrClN3S2/c6-3-2(8-1-11-3)4-9-5(7)10-12-4/h1H.
What are the key properties of 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole?
5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole has a molecular weight of 282.58 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1,3-thiazol-4-yl)-3-chloro-1,2,4-thiadiazole is sourced from PubChem (CID 164654032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).