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

C9H8BrN3S2 — CID 104779107

IUPAC5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2ccncc2Br)n1
InChIInChI=1S/C9H8BrN3S2/c1-2-8-12-9(15-13-8)14-7-3-4-11-5-6(7)10/h3-5H,2H2,1H3
InChIKeyAQXFGEVCUCSNER-UHFFFAOYSA-N
MW302.22 g/mol
LogP3.41
Rot. Bonds3

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

5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 104779107) has the molecular formula C9H8BrN3S2 and a molecular weight of 302.22 g/mol. Its IUPAC name is 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
PubChem CID104779107
Molecular FormulaC9H8BrN3S2
Molecular Weight302.22 g/mol
Exact Mass300.93
IUPAC Name5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(Sc2ccncc2Br)n1
InChIInChI=1S/C9H8BrN3S2/c1-2-8-12-9(15-13-8)14-7-3-4-11-5-6(7)10/h3-5H,2H2,1H3
InChIKeyAQXFGEVCUCSNER-UHFFFAOYSA-N
XLogP3.41
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
CID 65275072
2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
CID 114884443
1-[5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]phenyl]-N-ethylethanamine
CID 82970086
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-3-carbaldehyde
CID 80639652
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80647034
5-bromo-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 114893582
2-[(3-bromo-4-pyridinyl)sulfanyl]pyrimidine-4,6-diamine
CID 104779064
2-bromo-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-fluorobenzenecarboximidamide
CID 107537123
4-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridin-3-amine
CID 65275069
2-[(3-bromo-4-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106924225
3-bromo-4-ethylpyridine
CID 13160533
5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133492668

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole (CID 104779107) is 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(Sc2ccncc2Br)n1.
What is the InChIKey of 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is AQXFGEVCUCSNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3S2/c1-2-8-12-9(15-13-8)14-7-3-4-11-5-6(7)10/h3-5H,2H2,1H3.
What are the key properties of 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole?
5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 302.22 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromo-4-pyridinyl)sulfanyl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 104779107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).