N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide

C9H13N3O2S — CID 47314647

IUPACN-(oxan-3-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(NCC1CCCOC1)c1cnns1
InChIInChI=1S/C9H13N3O2S/c13-9(8-5-11-12-15-8)10-4-7-2-1-3-14-6-7/h5,7H,1-4,6H2,(H,10,13)
InChIKeyYXFSWPGWGLJHBF-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.69
Rot. Bonds3

About N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide

N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 47314647) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)thiadiazole-5-carboxamide
PubChem CID47314647
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN-(oxan-3-ylmethyl)thiadiazole-5-carboxamide
SMILESO=C(NCC1CCCOC1)c1cnns1
InChIInChI=1S/C9H13N3O2S/c13-9(8-5-11-12-15-8)10-4-7-2-1-3-14-6-7/h5,7H,1-4,6H2,(H,10,13)
InChIKeyYXFSWPGWGLJHBF-UHFFFAOYSA-N
XLogP0.69
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(oxan-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625385
2-(oxan-3-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696975
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292432
5-bromo-N-(oxan-3-ylmethyl)thiophene-3-carboxamide
CID 61019351
4-hydrazinyl-N-(oxan-3-ylmethyl)benzamide
CID 62247297
2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 114922848
N-(oxan-3-ylmethyl)-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 119067967
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
3-bromo-4-methyl-N-(oxan-3-ylmethyl)benzamide
CID 79466570
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide (CID 47314647) is N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide is O=C(NCC1CCCOC1)c1cnns1.
What is the InChIKey of N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is YXFSWPGWGLJHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c13-9(8-5-11-12-15-8)10-4-7-2-1-3-14-6-7/h5,7H,1-4,6H2,(H,10,13).
What are the key properties of N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide?
N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 227.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 47314647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).