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

C10H15N3O2S2 — CID 65271128

IUPAC3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCC(CNc2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H15N3O2S2/c14-17(15)4-3-7(6-17)5-11-10-12-9(13-16-10)8-1-2-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyONKMFOGTGUDSTO-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.26
Rot. Bonds4

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

3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271128) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271128
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESO=S1(=O)CCC(CNc2nc(C3CC3)ns2)C1
InChIInChI=1S/C10H15N3O2S2/c14-17(15)4-3-7(6-17)5-11-10-12-9(13-16-10)8-1-2-8/h7-8H,1-6H2,(H,11,12,13)
InChIKeyONKMFOGTGUDSTO-UHFFFAOYSA-N
XLogP1.26
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271128) is 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine is O=S1(=O)CCC(CNc2nc(C3CC3)ns2)C1.
What is the InChIKey of 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ONKMFOGTGUDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c14-17(15)4-3-7(6-17)5-11-10-12-9(13-16-10)8-1-2-8/h7-8H,1-6H2,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 273.38 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).