2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

C15H23N5S — CID 79934693

IUPAC2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCC1CN2CCCC2CN1c1nc2sccn2c1CCN
InChIInChI=1S/C15H23N5S/c1-11-9-18-6-2-3-12(18)10-20(11)14-13(4-5-16)19-7-8-21-15(19)17-14/h7-8,11-12H,2-6,9-10,16H2,1H3
InChIKeyDGLCPWQGXQZJPR-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.57
Rot. Bonds3

About 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine

2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (PubChem CID 79934693) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
PubChem CID79934693
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
SMILESCC1CN2CCCC2CN1c1nc2sccn2c1CCN
InChIInChI=1S/C15H23N5S/c1-11-9-18-6-2-3-12(18)10-20(11)14-13(4-5-16)19-7-8-21-15(19)17-14/h7-8,11-12H,2-6,9-10,16H2,1H3
InChIKeyDGLCPWQGXQZJPR-UHFFFAOYSA-N
XLogP1.57
TPSA49.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine with MolForge

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Related Compounds

N-methyl-1-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 79929871
2-[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63783425
2-[6-(azocan-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 55236378
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 104961298
2-[6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63786542
1-[6-(2-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 55237176
1-[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 63150946
1-[1-[5-(aminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55128569
N-[[6-(2-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 54882321
2-[6-(1-oxo-1,4-thiazinan-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 63786021
4-[5-(chloromethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,5-dimethylmorpholine
CID 43544828
5-(chloromethyl)-6-(4-methylazepan-1-yl)imidazo[2,1-b][1,3]thiazole
CID 63623554

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The IUPAC name of 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine (CID 79934693) is 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is CC1CN2CCCC2CN1c1nc2sccn2c1CCN.
What is the InChIKey of 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
The InChIKey is DGLCPWQGXQZJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-11-9-18-6-2-3-12(18)10-20(11)14-13(4-5-16)19-7-8-21-15(19)17-14/h7-8,11-12H,2-6,9-10,16H2,1H3.
What are the key properties of 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine?
2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine has a molecular weight of 305.45 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine is sourced from PubChem (CID 79934693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).