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

C9H8BrN3S2 — CID 106878344

IUPAC5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2nccc(C)c2Br)n1
InChIInChI=1S/C9H8BrN3S2/c1-5-3-4-11-8(7(5)10)14-9-12-6(2)13-15-9/h3-4H,1-2H3
InChIKeyOJNPSVWSBMFMHP-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.46
Rot. Bonds2

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

5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole (PubChem CID 106878344) has the molecular formula C9H8BrN3S2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
PubChem CID106878344
Molecular FormulaC9H8BrN3S2
Molecular Weight302.22 g/mol
Exact Mass300.93
IUPAC Name5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc(Sc2nccc(C)c2Br)n1
InChIInChI=1S/C9H8BrN3S2/c1-5-3-4-11-8(7(5)10)14-9-12-6(2)13-15-9/h3-4H,1-2H3
InChIKeyOJNPSVWSBMFMHP-UHFFFAOYSA-N
XLogP3.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 106878213
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
5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133424667
4-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]pyrimidine
CID 106878316
5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80895352
3-bromo-4-methyl-2-(3-methylbutylsulfanyl)pyridine
CID 107754063
N,5-dimethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80894498
2-methyl-N-[[5-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-pyridinyl]methyl]propan-1-amine
CID 80650679
5-(2,5-difluorophenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133426349
4-bromo-5-fluoro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]aniline
CID 116736865

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole (CID 106878344) is 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole is Cc1nsc(Sc2nccc(C)c2Br)n1.
What is the InChIKey of 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is OJNPSVWSBMFMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S2/c1-5-3-4-11-8(7(5)10)14-9-12-6(2)13-15-9/h3-4H,1-2H3.
What are the key properties of 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole?
5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 302.22 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-methyl-2-pyridinyl)sulfanyl]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 106878344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).