2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine

C13H21N3S — CID 102768367

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCC3(CCCCC3)CC2)s1
InChIInChI=1S/C13H21N3S/c14-11-10-15-12(17-11)16-8-6-13(7-9-16)4-2-1-3-5-13/h10H,1-9,14H2
InChIKeyUAVFFBUBPBVTIQ-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.28
Rot. Bonds1

About 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine

2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine (PubChem CID 102768367) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine
PubChem CID102768367
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine
SMILESNc1cnc(N2CCC3(CCCCC3)CC2)s1
InChIInChI=1S/C13H21N3S/c14-11-10-15-12(17-11)16-8-6-13(7-9-16)4-2-1-3-5-13/h10H,1-9,14H2
InChIKeyUAVFFBUBPBVTIQ-UHFFFAOYSA-N
XLogP3.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine (CID 102768367) is 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine is Nc1cnc(N2CCC3(CCCCC3)CC2)s1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine?
The InChIKey is UAVFFBUBPBVTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c14-11-10-15-12(17-11)16-8-6-13(7-9-16)4-2-1-3-5-13/h10H,1-9,14H2.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine?
2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine has a molecular weight of 251.40 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 102768367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).