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

C9H15N3OS — CID 65273460

IUPAC1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
SMILESCc1nsc(OCC2(N)CCCC2)n1
InChIInChI=1S/C9H15N3OS/c1-7-11-8(14-12-7)13-6-9(10)4-2-3-5-9/h2-6,10H2,1H3
InChIKeyZYYSPCITEPGWCX-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.50
Rot. Bonds3

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

1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine (PubChem CID 65273460) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
PubChem CID65273460
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
SMILESCc1nsc(OCC2(N)CCCC2)n1
InChIInChI=1S/C9H15N3OS/c1-7-11-8(14-12-7)13-6-9(10)4-2-3-5-9/h2-6,10H2,1H3
InChIKeyZYYSPCITEPGWCX-UHFFFAOYSA-N
XLogP1.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine (CID 65273460) is 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine is Cc1nsc(OCC2(N)CCCC2)n1.
What is the InChIKey of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The InChIKey is ZYYSPCITEPGWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-8(14-12-7)13-6-9(10)4-2-3-5-9/h2-6,10H2,1H3.
What are the key properties of 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine has a molecular weight of 213.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 65273460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).