[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C16H24N4S — CID 62931604

IUPAC[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(N2CCC3(CCCCC3)CC2)nc2sccn12
InChIInChI=1S/C16H24N4S/c17-12-13-14(18-15-20(13)10-11-21-15)19-8-6-16(7-9-19)4-2-1-3-5-16/h10-11H,1-9,12,17H2
InChIKeyFJIWLDWWWOGFAG-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.41
Rot. Bonds2

About [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 62931604) has the molecular formula C16H24N4S and a molecular weight of 304.46 g/mol. Its IUPAC name is [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID62931604
Molecular FormulaC16H24N4S
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESNCc1c(N2CCC3(CCCCC3)CC2)nc2sccn12
InChIInChI=1S/C16H24N4S/c17-12-13-14(18-15-20(13)10-11-21-15)19-8-6-16(7-9-19)4-2-1-3-5-16/h10-11H,1-9,12,17H2
InChIKeyFJIWLDWWWOGFAG-UHFFFAOYSA-N
XLogP3.41
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 62931604) is [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is NCc1c(N2CCC3(CCCCC3)CC2)nc2sccn12.
What is the InChIKey of [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is FJIWLDWWWOGFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4S/c17-12-13-14(18-15-20(13)10-11-21-15)19-8-6-16(7-9-19)4-2-1-3-5-16/h10-11H,1-9,12,17H2.
What are the key properties of [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 304.46 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-azaspiro[5.5]undecan-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 62931604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).