N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine

C7H11N3O2S2 — CID 65271071

IUPACN-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCC(CNc2ncns2)C1
InChIInChI=1S/C7H11N3O2S2/c11-14(12)2-1-6(4-14)3-8-7-9-5-10-13-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyZYVSVNJGCIUEGW-UHFFFAOYSA-N
MW233.32 g/mol
LogP0.38
Rot. Bonds3

About N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine

N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271071) has the molecular formula C7H11N3O2S2 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271071
Molecular FormulaC7H11N3O2S2
Molecular Weight233.32 g/mol
Exact Mass233.03
IUPAC NameN-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCC(CNc2ncns2)C1
InChIInChI=1S/C7H11N3O2S2/c11-14(12)2-1-6(4-14)3-8-7-9-5-10-13-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyZYVSVNJGCIUEGW-UHFFFAOYSA-N
XLogP0.38
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271071) is N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine is O=S1(=O)CCC(CNc2ncns2)C1.
What is the InChIKey of N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZYVSVNJGCIUEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S2/c11-14(12)2-1-6(4-14)3-8-7-9-5-10-13-7/h5-6H,1-4H2,(H,8,9,10).
What are the key properties of N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 233.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).