N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide

C7H9N3O2S — CID 126997753

IUPACN-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(NC1CCSC1)c1cnon1
InChIInChI=1S/C7H9N3O2S/c11-7(6-3-8-12-10-6)9-5-1-2-13-4-5/h3,5H,1-2,4H2,(H,9,11)
InChIKeyMLTCWJGDRSPFKD-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.30
Rot. Bonds2

About N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide

N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 126997753) has the molecular formula C7H9N3O2S and a molecular weight of 199.23 g/mol. Its IUPAC name is N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID126997753
Molecular FormulaC7H9N3O2S
Molecular Weight199.23 g/mol
Exact Mass199.04
IUPAC NameN-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(NC1CCSC1)c1cnon1
InChIInChI=1S/C7H9N3O2S/c11-7(6-3-8-12-10-6)9-5-1-2-13-4-5/h3,5H,1-2,4H2,(H,9,11)
InChIKeyMLTCWJGDRSPFKD-UHFFFAOYSA-N
XLogP0.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-fluoropropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 130736650
N-butyl-1,2,5-oxadiazole-3-carboxamide
CID 57957360
N-(1,1-dioxothiolan-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47262490
N-(thiolan-3-yl)-2H-triazole-4-carboxamide
CID 103708615
N-propyl-1,2,5-oxadiazole-3-carboxamide
CID 108476746
N-propan-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 108476758
N-(2-methylpropyl)-1,2,5-oxadiazole-3-carboxamide
CID 108476764
N-butan-2-yl-1,2,5-oxadiazole-3-carboxamide
CID 108476767
N-cyclopentyl-1,2,5-oxadiazole-3-carboxamide
CID 108476768
N-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 108476825
N-(1,1-dioxothiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide
CID 108476858
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1,2,5-oxadiazole-3-carboxamide
CID 108476859

Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide (CID 126997753) is N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide is O=C(NC1CCSC1)c1cnon1.
What is the InChIKey of N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is MLTCWJGDRSPFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2S/c11-7(6-3-8-12-10-6)9-5-1-2-13-4-5/h3,5H,1-2,4H2,(H,9,11).
What are the key properties of N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide?
N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 199.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 126997753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).