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

C7H3BrClN3S2 — CID 64623723

IUPAC2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESClc1cccnc1Sc1nnc(Br)s1
InChIInChI=1S/C7H3BrClN3S2/c8-6-11-12-7(14-6)13-5-4(9)2-1-3-10-5/h1-3H
InChIKeySVGCGPSSNWVXHL-UHFFFAOYSA-N
MW308.61 g/mol
LogP3.50
Rot. Bonds2

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

2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (PubChem CID 64623723) has the molecular formula C7H3BrClN3S2 and a molecular weight of 308.61 g/mol. Its IUPAC name is 2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
PubChem CID64623723
Molecular FormulaC7H3BrClN3S2
Molecular Weight308.61 g/mol
Exact Mass306.86
IUPAC Name2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESClc1cccnc1Sc1nnc(Br)s1
InChIInChI=1S/C7H3BrClN3S2/c8-6-11-12-7(14-6)13-5-4(9)2-1-3-10-5/h1-3H
InChIKeySVGCGPSSNWVXHL-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-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623517
5-bromo-4-[(3-chloro-2-pyridinyl)sulfanyl]pyrimidine
CID 66320532
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
4-[(3-chloro-2-pyridinyl)sulfanyl]aniline
CID 61370219
2-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoropyrimidine
CID 79075598
3-chloro-2-(2-chloroethylsulfanyl)pyridine
CID 43446290
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
5-chloro-4-[(3-chloro-2-pyridinyl)sulfanyl]-1H-pyrimidin-6-one
CID 114791282
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyridine
CID 819435
3-[(3-chloro-2-pyridinyl)sulfanyl]phenol
CID 104590879
2-[(3-chloro-2-pyridinyl)sulfanyl]-4-methylpyrimidine
CID 91252009
3-chloro-2-(trifluoromethylsulfanyl)pyridine
CID 75406416

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (CID 64623723) is 2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is Clc1cccnc1Sc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The InChIKey is SVGCGPSSNWVXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3S2/c8-6-11-12-7(14-6)13-5-4(9)2-1-3-10-5/h1-3H.
What are the key properties of 2-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
2-bromo-5-[(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-bromo-5-[(3-chloro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 64623723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).