N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine

C9H16N4OS — CID 106298041

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2(CN)CCOCC2)n1
InChIInChI=1S/C9H16N4OS/c1-7-11-8(15-13-7)12-9(6-10)2-4-14-5-3-9/h2-6,10H2,1H3,(H,11,12,13)
InChIKeyXZMYWVRGUAZGBE-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.77
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 106298041) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID106298041
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2(CN)CCOCC2)n1
InChIInChI=1S/C9H16N4OS/c1-7-11-8(15-13-7)12-9(6-10)2-4-14-5-3-9/h2-6,10H2,1H3,(H,11,12,13)
InChIKeyXZMYWVRGUAZGBE-UHFFFAOYSA-N
XLogP0.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.77
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]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 106298041) is N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2(CN)CCOCC2)n1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is XZMYWVRGUAZGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-7-11-8(15-13-7)12-9(6-10)2-4-14-5-3-9/h2-6,10H2,1H3,(H,11,12,13).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[4-(aminomethyl)oxan-4-yl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 228.32 g/mol, XLogP of 0.77, 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]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106298041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).