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

C8H6BrN3S2 — CID 106878213

IUPAC2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESCc1ccnc(Sc2nncs2)c1Br
InChIInChI=1S/C8H6BrN3S2/c1-5-2-3-10-7(6(5)9)14-8-12-11-4-13-8/h2-4H,1H3
InChIKeyLOSHTGABIJYMCT-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.16
Rot. Bonds2

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

2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (PubChem CID 106878213) has the molecular formula C8H6BrN3S2 and a molecular weight of 288.20 g/mol. Its IUPAC name is 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
PubChem CID106878213
Molecular FormulaC8H6BrN3S2
Molecular Weight288.20 g/mol
Exact Mass286.92
IUPAC Name2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESCc1ccnc(Sc2nncs2)c1Br
InChIInChI=1S/C8H6BrN3S2/c1-5-2-3-10-7(6(5)9)14-8-12-11-4-13-8/h2-4H,1H3
InChIKeyLOSHTGABIJYMCT-UHFFFAOYSA-N
XLogP3.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
CID 106878344
3-bromo-4-methyl-2-pyridin-4-ylsulfanylpyridine
CID 106878334
3-bromo-4-methyl-2-propylsulfanylpyridine
CID 106878163
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]phenol
CID 106876320
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
CID 106878316
2-[(5-bromo-3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 103583817
5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
CID 79535681
3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
CID 107754063
6-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 106875322
N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 43187786
N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038
N-[1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)-3-pyridinyl]ethyl]propan-1-amine
CID 114056820

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (CID 106878213) is 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is Cc1ccnc(Sc2nncs2)c1Br.
What is the InChIKey of 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The InChIKey is LOSHTGABIJYMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3S2/c1-5-2-3-10-7(6(5)9)14-8-12-11-4-13-8/h2-4H,1H3.
What are the key properties of 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole has a molecular weight of 288.20 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 106878213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).