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

C15H26N4S — CID 80606120

IUPAC5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCC3(CCCCC3)CC2)s1
InChIInChI=1S/C15H26N4S/c1-2-16-14-18-17-13(20-14)12-19-10-8-15(9-11-19)6-4-3-5-7-15/h2-12H2,1H3,(H,16,18)
InChIKeyNTAHAARTSBRHGO-UHFFFAOYSA-N
MW294.47 g/mol
LogP3.52
Rot. Bonds4

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

5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606120) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID80606120
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC Name5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CN2CCC3(CCCCC3)CC2)s1
InChIInChI=1S/C15H26N4S/c1-2-16-14-18-17-13(20-14)12-19-10-8-15(9-11-19)6-4-3-5-7-15/h2-12H2,1H3,(H,16,18)
InChIKeyNTAHAARTSBRHGO-UHFFFAOYSA-N
XLogP3.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 53.52
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)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 80606120) is 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(CN2CCC3(CCCCC3)CC2)s1.
What is the InChIKey of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is NTAHAARTSBRHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-2-16-14-18-17-13(20-14)12-19-10-8-15(9-11-19)6-4-3-5-7-15/h2-12H2,1H3,(H,16,18).
What are the key properties of 5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 294.47 g/mol, XLogP of 3.52, 4 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)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).