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

C6H9N3O2S2 — CID 65271714

IUPACN-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCC(Nc2ncns2)C1
InChIInChI=1S/C6H9N3O2S2/c10-13(11)2-1-5(3-13)9-6-7-4-8-12-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyKSZIWCONIAVLPX-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.14
Rot. Bonds2

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

N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65271714) has the molecular formula C6H9N3O2S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65271714
Molecular FormulaC6H9N3O2S2
Molecular Weight219.29 g/mol
Exact Mass219.01
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCC(Nc2ncns2)C1
InChIInChI=1S/C6H9N3O2S2/c10-13(11)2-1-5(3-13)9-6-7-4-8-12-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyKSZIWCONIAVLPX-UHFFFAOYSA-N
XLogP0.14
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65268370
N-(2-methylsulfonylethyl)-1,2,4-thiadiazol-5-amine
CID 65271057
N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271071
2-(1,2,4-Thiadiazol-5-ylamino)ethanesulfonamide
CID 65271506
N-(1,1-dioxothian-4-yl)-1,2,4-thiadiazol-5-amine
CID 65271623
N-(3-methylsulfonylpropyl)-1,2,4-thiadiazol-5-amine
CID 65271759
N-(1-methylsulfonylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65273940
N-(1,1-dioxothian-3-yl)-1,2,4-thiadiazol-5-amine
CID 65274390
3-(1,2,4-Thiadiazol-5-ylamino)propane-1-sulfonamide
CID 65276850
5-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66277902
5-N-(1,1-dioxothiolan-3-yl)-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 66277937
5-N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66278325

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine (CID 65271714) is N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine is O=S1(=O)CCC(Nc2ncns2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is KSZIWCONIAVLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S2/c10-13(11)2-1-5(3-13)9-6-7-4-8-12-6/h4-5H,1-3H2,(H,7,8,9).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine?
N-(1,1-dioxothiolan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 219.29 g/mol, XLogP of 0.14, 2 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)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).