5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine

C8H14N4OS — CID 66281185

IUPAC5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC2CCCOC2)n1
InChIInChI=1S/C8H14N4OS/c9-7-11-8(14-12-7)10-4-6-2-1-3-13-5-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKeyCKBLNCCKISNWLG-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.96
Rot. Bonds3

About 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66281185) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66281185
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC Name5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC2CCCOC2)n1
InChIInChI=1S/C8H14N4OS/c9-7-11-8(14-12-7)10-4-6-2-1-3-13-5-6/h6H,1-5H2,(H3,9,10,11,12)
InChIKeyCKBLNCCKISNWLG-UHFFFAOYSA-N
XLogP0.96
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-5-N-(oxan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359238
2-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66278140
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
N-(oxan-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 47292416
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012
5-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278129
3-N-(oxan-3-ylmethyl)quinoxaline-2,3-diamine
CID 102983881
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
6-chloro-2-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,5-diamine
CID 59374572
3-amino-5-(oxan-3-ylmethylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103378285
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
2-ethyl-5-methyl-4-N-(oxan-3-ylmethyl)pyrimidine-4,6-diamine
CID 80982978

Frequently Asked Questions

What is the IUPAC name of 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine (CID 66281185) is 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCC2CCCOC2)n1.
What is the InChIKey of 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is CKBLNCCKISNWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-7-11-8(14-12-7)10-4-6-2-1-3-13-5-6/h6H,1-5H2,(H3,9,10,11,12).
What are the key properties of 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 214.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(oxan-3-ylmethyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66281185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).