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

C11H19N3OS — CID 103742949

IUPAC3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2(C)CCOCC2)n1
InChIInChI=1S/C11H19N3OS/c1-3-9-13-10(16-14-9)12-8-11(2)4-6-15-7-5-11/h3-8H2,1-2H3,(H,12,13,14)
InChIKeyIPTRZOHAZQICID-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.33
Rot. Bonds4

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

3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 103742949) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID103742949
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC2(C)CCOCC2)n1
InChIInChI=1S/C11H19N3OS/c1-3-9-13-10(16-14-9)12-8-11(2)4-6-15-7-5-11/h3-8H2,1-2H3,(H,12,13,14)
InChIKeyIPTRZOHAZQICID-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 103742949) is 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC2(C)CCOCC2)n1.
What is the InChIKey of 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is IPTRZOHAZQICID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-9-13-10(16-14-9)12-8-11(2)4-6-15-7-5-11/h3-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 241.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-methyloxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103742949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).