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

C10H18N4OS — CID 106298122

IUPACN-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2(CN)CCOCC2)n1
InChIInChI=1S/C10H18N4OS/c1-2-8-12-9(16-14-8)13-10(7-11)3-5-15-6-4-10/h2-7,11H2,1H3,(H,12,13,14)
InChIKeyFFXPSZQDZGTZFW-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.02
Rot. Bonds4

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

N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 106298122) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID106298122
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2(CN)CCOCC2)n1
InChIInChI=1S/C10H18N4OS/c1-2-8-12-9(16-14-8)13-10(7-11)3-5-15-6-4-10/h2-7,11H2,1H3,(H,12,13,14)
InChIKeyFFXPSZQDZGTZFW-UHFFFAOYSA-N
XLogP1.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.02
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-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 106298122) is N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2(CN)CCOCC2)n1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is FFXPSZQDZGTZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-2-8-12-9(16-14-8)13-10(7-11)3-5-15-6-4-10/h2-7,11H2,1H3,(H,12,13,14).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[4-(aminomethyl)oxan-4-yl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 242.35 g/mol, XLogP of 1.02, 4 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-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106298122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).