1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine

C11H19N3OS — CID 65279964

IUPAC1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
SMILESCC(C)c1nsc(OCC2(N)CCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)9-13-10(16-14-9)15-7-11(12)5-3-4-6-11/h8H,3-7,12H2,1-2H3
InChIKeyFHADEHQJRMXTKI-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.31
Rot. Bonds4

About 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine

1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine (PubChem CID 65279964) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
PubChem CID65279964
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
SMILESCC(C)c1nsc(OCC2(N)CCCC2)n1
InChIInChI=1S/C11H19N3OS/c1-8(2)9-13-10(16-14-9)15-7-11(12)5-3-4-6-11/h8H,3-7,12H2,1-2H3
InChIKeyFHADEHQJRMXTKI-UHFFFAOYSA-N
XLogP2.31
TPSA61.03 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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine (CID 65279964) is 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine is CC(C)c1nsc(OCC2(N)CCCC2)n1.
What is the InChIKey of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The InChIKey is FHADEHQJRMXTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)9-13-10(16-14-9)15-7-11(12)5-3-4-6-11/h8H,3-7,12H2,1-2H3.
What are the key properties of 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine has a molecular weight of 241.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 65279964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).