N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine

C17H26N4S — CID 56719293

IUPACN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine
SMILESCC(NC1CCC2(CCNCC2)CC1)c1cn2ccsc2n1
InChIInChI=1S/C17H26N4S/c1-13(15-12-21-10-11-22-16(21)20-15)19-14-2-4-17(5-3-14)6-8-18-9-7-17/h10-14,18-19H,2-9H2,1H3
InChIKeyGNLUFFGGIFQFJC-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.36
Rot. Bonds3

About N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine

N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine (PubChem CID 56719293) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine
PubChem CID56719293
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC NameN-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine
SMILESCC(NC1CCC2(CCNCC2)CC1)c1cn2ccsc2n1
InChIInChI=1S/C17H26N4S/c1-13(15-12-21-10-11-22-16(21)20-15)19-14-2-4-17(5-3-14)6-8-18-9-7-17/h10-14,18-19H,2-9H2,1H3
InChIKeyGNLUFFGGIFQFJC-UHFFFAOYSA-N
XLogP3.36
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine?
The IUPAC name of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine (CID 56719293) is N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine is CC(NC1CCC2(CCNCC2)CC1)c1cn2ccsc2n1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine?
The InChIKey is GNLUFFGGIFQFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-13(15-12-21-10-11-22-16(21)20-15)19-14-2-4-17(5-3-14)6-8-18-9-7-17/h10-14,18-19H,2-9H2,1H3.
What are the key properties of N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine?
N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine has a molecular weight of 318.49 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-azaspiro[5.5]undecan-9-amine is sourced from PubChem (CID 56719293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).