2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole

C7H3BrClN3S2 — CID 103583817

IUPAC2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESClc1cc(Br)cnc1Sc1nncs1
InChIInChI=1S/C7H3BrClN3S2/c8-4-1-5(9)6(10-2-4)14-7-12-11-3-13-7/h1-3H
InChIKeyFFYKONUBGGXVTB-UHFFFAOYSA-N
MW308.61 g/mol
LogP3.50
Rot. Bonds2

About 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole

2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (PubChem CID 103583817) has the molecular formula C7H3BrClN3S2 and a molecular weight of 308.61 g/mol. Its IUPAC name is 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
PubChem CID103583817
Molecular FormulaC7H3BrClN3S2
Molecular Weight308.61 g/mol
Exact Mass306.86
IUPAC Name2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESClc1cc(Br)cnc1Sc1nncs1
InChIInChI=1S/C7H3BrClN3S2/c8-4-1-5(9)6(10-2-4)14-7-12-11-3-13-7/h1-3H
InChIKeyFFYKONUBGGXVTB-UHFFFAOYSA-N
XLogP3.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.61
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 79733730
5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 79535681
3,5-dichloro-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-2-amine
CID 102761263
5-bromo-3-chloro-2-(3-chloropropylsulfanyl)pyridine
CID 103582712
5-bromo-2-(2-bromophenyl)sulfanyl-3-chloropyridine
CID 103583827
5-bromo-3-chloro-2-(2-methylfuran-3-yl)sulfanylpyridine
CID 107781342
3,5-dichloro-4-(1,3,4-thiadiazol-2-ylsulfanyl)aniline
CID 106891300
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
5-chloro-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-4-carboxylic acid
CID 114920084
5-bromo-3-chloro-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 103583844
2-[(4-chloro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 83155650
2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-4,6-dimethylpyridine-3-carboxylic acid
CID 103582261

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (CID 103583817) is 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is Clc1cc(Br)cnc1Sc1nncs1.
What is the InChIKey of 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The InChIKey is FFYKONUBGGXVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3S2/c8-4-1-5(9)6(10-2-4)14-7-12-11-3-13-7/h1-3H.
What are the key properties of 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole has a molecular weight of 308.61 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 103583817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).