2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole

C6H9BrN2S2 — CID 64624947

IUPAC2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole
SMILESCC(C)CSc1nnc(Br)s1
InChIInChI=1S/C6H9BrN2S2/c1-4(2)3-10-6-9-8-5(7)11-6/h4H,3H2,1-2H3
InChIKeyJGLNHAGCWOOUHC-UHFFFAOYSA-N
MW253.19 g/mol
LogP3.05
Rot. Bonds3

About 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole

2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole (PubChem CID 64624947) has the molecular formula C6H9BrN2S2 and a molecular weight of 253.19 g/mol. Its IUPAC name is 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole
PubChem CID64624947
Molecular FormulaC6H9BrN2S2
Molecular Weight253.19 g/mol
Exact Mass251.94
IUPAC Name2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole
SMILESCC(C)CSc1nnc(Br)s1
InChIInChI=1S/C6H9BrN2S2/c1-4(2)3-10-6-9-8-5(7)11-6/h4H,3H2,1-2H3
InChIKeyJGLNHAGCWOOUHC-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-bromo-1,3,4-thiadiazol-2-yl)sulfanyl]propane-1,2-diol
CID 79682618
(2R)-1-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-2-ol
CID 106933430
2-[(4-bromophenyl)methylsulfanyl]-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100759898
6-bromo-5-methyl-2-(2-methylpropylsulfanyl)-[1,3]thiazolo[4,5-b]pyridine
CID 76850356
3,5-bis(2-methylpropylsulfanyl)-1,2,4-thiadiazole
CID 139971849
2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 64624757
2-(4-bromo-N-methylsulfonylanilino)-N-[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100508571
N-(4-fluorophenyl)-2-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 17444048
2-[2-(bromomethyl)butylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 65000393
3-[[5-(2,3-dihydroxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]propane-1,2-diol
CID 15144528
5-(2,2-dimethoxyethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 81093628
4-chloro-2-(2-methylpropylsulfanyl)-1,3-thiazole
CID 83155527

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole (CID 64624947) is 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole is CC(C)CSc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole?
The InChIKey is JGLNHAGCWOOUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2S2/c1-4(2)3-10-6-9-8-5(7)11-6/h4H,3H2,1-2H3.
What are the key properties of 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole?
2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole has a molecular weight of 253.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methylpropylsulfanyl)-1,3,4-thiadiazole is sourced from PubChem (CID 64624947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).