N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

C18H22N6S — CID 120967105

IUPACN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESc1cnc2nc(CN(Cc3nccs3)C3CC34CCNCC4)cn2c1
InChIInChI=1S/C18H22N6S/c1-4-21-17-22-14(11-23(17)8-1)12-24(13-16-20-7-9-25-16)15-10-18(15)2-5-19-6-3-18/h1,4,7-9,11,15,19H,2-3,5-6,10,12-13H2
InChIKeyLGEQAWMLEPAJFS-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.33
Rot. Bonds5

About N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine

N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (PubChem CID 120967105) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
PubChem CID120967105
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine
SMILESc1cnc2nc(CN(Cc3nccs3)C3CC34CCNCC4)cn2c1
InChIInChI=1S/C18H22N6S/c1-4-21-17-22-14(11-23(17)8-1)12-24(13-16-20-7-9-25-16)15-10-18(15)2-5-19-6-3-18/h1,4,7-9,11,15,19H,2-3,5-6,10,12-13H2
InChIKeyLGEQAWMLEPAJFS-UHFFFAOYSA-N
XLogP2.33
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine (CID 120967105) is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is c1cnc2nc(CN(Cc3nccs3)C3CC34CCNCC4)cn2c1.
What is the InChIKey of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
The InChIKey is LGEQAWMLEPAJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-4-21-17-22-14(11-23(17)8-1)12-24(13-16-20-7-9-25-16)15-10-18(15)2-5-19-6-3-18/h1,4,7-9,11,15,19H,2-3,5-6,10,12-13H2.
What are the key properties of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine?
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine has a molecular weight of 354.48 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-amine is sourced from PubChem (CID 120967105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).