N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine

C8H14N4OS — CID 106298397

IUPACN-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
SMILESNCC1(Nc2ncns2)CCOCC1
InChIInChI=1S/C8H14N4OS/c9-5-8(1-3-13-4-2-8)12-7-10-6-11-14-7/h6H,1-5,9H2,(H,10,11,12)
InChIKeySYEFUVRBZLXOFM-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.46
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine

N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 106298397) has the molecular formula C8H14N4OS and a molecular weight of 214.29 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
PubChem CID106298397
Molecular FormulaC8H14N4OS
Molecular Weight214.29 g/mol
Exact Mass214.09
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
SMILESNCC1(Nc2ncns2)CCOCC1
InChIInChI=1S/C8H14N4OS/c9-5-8(1-3-13-4-2-8)12-7-10-6-11-14-7/h6H,1-5,9H2,(H,10,11,12)
InChIKeySYEFUVRBZLXOFM-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine (CID 106298397) is N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine is NCC1(Nc2ncns2)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SYEFUVRBZLXOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4OS/c9-5-8(1-3-13-4-2-8)12-7-10-6-11-14-7/h6H,1-5,9H2,(H,10,11,12).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine?
N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 214.29 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106298397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).