5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine

C13H22N4S — CID 80607567

IUPAC5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN2CCC3(CCCCC3)CC2)s1
InChIInChI=1S/C13H22N4S/c14-12-16-15-11(18-12)10-17-8-6-13(7-9-17)4-2-1-3-5-13/h1-10H2,(H2,14,16)
InChIKeyQEDVHOCVYPIABL-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.67
Rot. Bonds2

About 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine

5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80607567) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80607567
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CN2CCC3(CCCCC3)CC2)s1
InChIInChI=1S/C13H22N4S/c14-12-16-15-11(18-12)10-17-8-6-13(7-9-17)4-2-1-3-5-13/h1-10H2,(H2,14,16)
InChIKeyQEDVHOCVYPIABL-UHFFFAOYSA-N
XLogP2.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 80607567) is 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CN2CCC3(CCCCC3)CC2)s1.
What is the InChIKey of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QEDVHOCVYPIABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c14-12-16-15-11(18-12)10-17-8-6-13(7-9-17)4-2-1-3-5-13/h1-10H2,(H2,14,16).
What are the key properties of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 266.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80607567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).