4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide

C9H10N4O2S — CID 114912599

IUPAC4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide
SMILESN#CC1(C(=O)Nc2cnns2)CCOCC1
InChIInChI=1S/C9H10N4O2S/c10-6-9(1-3-15-4-2-9)8(14)12-7-5-11-13-16-7/h5H,1-4H2,(H,12,14)
InChIKeyRVWWAPGFXYCIHO-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.80
Rot. Bonds2

About 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide

4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide (PubChem CID 114912599) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide
PubChem CID114912599
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide
SMILESN#CC1(C(=O)Nc2cnns2)CCOCC1
InChIInChI=1S/C9H10N4O2S/c10-6-9(1-3-15-4-2-9)8(14)12-7-5-11-13-16-7/h5H,1-4H2,(H,12,14)
InChIKeyRVWWAPGFXYCIHO-UHFFFAOYSA-N
XLogP0.80
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 113650356
CID 113650356
CID 114912301
CID 114912301
CID 114912348
CID 114912348
CID 114912594
CID 114912594
CID 114912595
CID 114912595

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide (CID 114912599) is 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide is N#CC1(C(=O)Nc2cnns2)CCOCC1.
What is the InChIKey of 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide?
The InChIKey is RVWWAPGFXYCIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c10-6-9(1-3-15-4-2-9)8(14)12-7-5-11-13-16-7/h5H,1-4H2,(H,12,14).
What are the key properties of 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide?
4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide has a molecular weight of 238.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 114912599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).