5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine

C5H6BrN3O2S2 — CID 130921490

IUPAC5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine
SMILESO=S1(=O)CC(Nc2nnc(Br)s2)C1
InChIInChI=1S/C5H6BrN3O2S2/c6-4-8-9-5(12-4)7-3-1-13(10,11)2-3/h3H,1-2H2,(H,7,9)
InChIKeyVUUGEFFGMNEQJU-UHFFFAOYSA-N
MW284.16 g/mol
LogP0.51
Rot. Bonds2

About 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine

5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 130921490) has the molecular formula C5H6BrN3O2S2 and a molecular weight of 284.16 g/mol. Its IUPAC name is 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID130921490
Molecular FormulaC5H6BrN3O2S2
Molecular Weight284.16 g/mol
Exact Mass282.91
IUPAC Name5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine
SMILESO=S1(=O)CC(Nc2nnc(Br)s2)C1
InChIInChI=1S/C5H6BrN3O2S2/c6-4-8-9-5(12-4)7-3-1-13(10,11)2-3/h3H,1-2H2,(H,7,9)
InChIKeyVUUGEFFGMNEQJU-UHFFFAOYSA-N
XLogP0.51
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(1,1-dioxothietan-3-yl)-1,3-thiazole-2,5-diamine
CID 130816194
5-bromo-N-(1-propylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 64622641
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]cyclopentan-1-ol
CID 130991530
5-bromo-N-(1,3-dimethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 114505705
5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine
CID 64624511
5-bromo-N-(2,2-dimethylcyclohexyl)-1,3,4-thiadiazol-2-amine
CID 79873409
(5-bromo-1,3,4-thiadiazol-2-yl)carbamic acid
CID 69158833
N-(1,1-dioxothietan-3-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 131091752
6-bromo-N-(1,1-dioxothiolan-3-yl)-1,3-benzothiazol-2-amine
CID 79534163
5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 64687683
4-[[(5-bromo-1,3,4-thiadiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106137434
2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 2998898

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine (CID 130921490) is 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine is O=S1(=O)CC(Nc2nnc(Br)s2)C1.
What is the InChIKey of 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VUUGEFFGMNEQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O2S2/c6-4-8-9-5(12-4)7-3-1-13(10,11)2-3/h3H,1-2H2,(H,7,9).
What are the key properties of 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 284.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-dioxothietan-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130921490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).