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

C12H21N3OS — CID 65280020

IUPAC1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
SMILESCC(C)(C)c1nsc(OCC2(N)CCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-11(2,3)9-14-10(17-15-9)16-8-12(13)6-4-5-7-12/h4-8,13H2,1-3H3
InChIKeyYGCJTDOATZMSCT-UHFFFAOYSA-N
MW255.39 g/mol
LogP2.49
Rot. Bonds3

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

1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine (PubChem CID 65280020) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
PubChem CID65280020
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine
SMILESCC(C)(C)c1nsc(OCC2(N)CCCC2)n1
InChIInChI=1S/C12H21N3OS/c1-11(2,3)9-14-10(17-15-9)16-8-12(13)6-4-5-7-12/h4-8,13H2,1-3H3
InChIKeyYGCJTDOATZMSCT-UHFFFAOYSA-N
XLogP2.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine (CID 65280020) is 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine is CC(C)(C)c1nsc(OCC2(N)CCCC2)n1.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
The InChIKey is YGCJTDOATZMSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-11(2,3)9-14-10(17-15-9)16-8-12(13)6-4-5-7-12/h4-8,13H2,1-3H3.
What are the key properties of 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine?
1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine has a molecular weight of 255.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)oxymethyl]cyclopentan-1-amine is sourced from PubChem (CID 65280020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).