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

C9H14N4O2S — CID 114912301

IUPAC4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2cnns2)CCOCC1
InChIInChI=1S/C9H14N4O2S/c10-6-9(1-3-15-4-2-9)8(14)12-7-5-11-13-16-7/h5H,1-4,6,10H2,(H,12,14)
InChIKeyYXSIQKBYQNORES-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.23
Rot. Bonds3

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

4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide (PubChem CID 114912301) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide
PubChem CID114912301
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Name4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2cnns2)CCOCC1
InChIInChI=1S/C9H14N4O2S/c10-6-9(1-3-15-4-2-9)8(14)12-7-5-11-13-16-7/h5H,1-4,6,10H2,(H,12,14)
InChIKeyYXSIQKBYQNORES-UHFFFAOYSA-N
XLogP0.23
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-N-(thiadiazol-5-yl)piperidine-4-carboxamide
CID 108122235
4-carbamothioyl-N-(thiadiazol-5-yl)oxane-4-carboxamide
CID 113650356
2-morpholin-3-yl-N-(thiadiazol-5-yl)acetamide
CID 114912233
2-(aminomethyl)-2-methyl-N-(thiadiazol-5-yl)butanamide
CID 114912239
4-amino-3-methyl-N-(thiadiazol-5-yl)oxolane-3-carboxamide
CID 114912292
2-(aminomethyl)-2-ethyl-N-(thiadiazol-5-yl)butanamide
CID 114912319
4-amino-N-(thiadiazol-5-yl)oxane-4-carboxamide
CID 114912348
4-cyano-N-(thiadiazol-5-yl)oxane-4-carboxamide
CID 114912599
2-carbamothioyl-2-ethyl-N-(thiadiazol-5-yl)butanamide
CID 114912652

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide (CID 114912301) is 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide is NCC1(C(=O)Nc2cnns2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide?
The InChIKey is YXSIQKBYQNORES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c10-6-9(1-3-15-4-2-9)8(14)12-7-5-11-13-16-7/h5H,1-4,6,10H2,(H,12,14).
What are the key properties of 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide has a molecular weight of 242.30 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(thiadiazol-5-yl)oxane-4-carboxamide is sourced from PubChem (CID 114912301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).