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

C7H11N3O2S2 — CID 65274390

IUPACN-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCCC(Nc2ncns2)C1
InChIInChI=1S/C7H11N3O2S2/c11-14(12)3-1-2-6(4-14)10-7-8-5-9-13-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyOKOXBBUZEUIDKJ-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.53
Rot. Bonds2

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

N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65274390) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65274390
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC NameN-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCCC(Nc2ncns2)C1
InChIInChI=1S/C7H11N3O2S2/c11-14(12)3-1-2-6(4-14)10-7-8-5-9-13-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyOKOXBBUZEUIDKJ-UHFFFAOYSA-N
XLogP0.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine (CID 65274390) is N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine is O=S1(=O)CCCC(Nc2ncns2)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OKOXBBUZEUIDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c11-14(12)3-1-2-6(4-14)10-7-8-5-9-13-7/h5-6H,1-4H2,(H,8,9,10).
What are the key properties of N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine?
N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 233.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65274390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).