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

C15H23N5S — CID 79929871

IUPACN-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
SMILESCNCc1c(N2CC3CCCN3CC2C)nc2sccn12
InChIInChI=1S/C15H23N5S/c1-11-9-18-5-3-4-12(18)10-20(11)14-13(8-16-2)19-6-7-21-15(19)17-14/h6-7,11-12,16H,3-5,8-10H2,1-2H3
InChIKeyKUAOZTBVPDNGCC-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.79
Rot. Bonds3

About 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

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 (PubChem CID 79929871) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID79929871
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-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
SMILESCNCc1c(N2CC3CCCN3CC2C)nc2sccn12
InChIInChI=1S/C15H23N5S/c1-11-9-18-5-3-4-12(18)10-20(11)14-13(8-16-2)19-6-7-21-15(19)17-14/h6-7,11-12,16H,3-5,8-10H2,1-2H3
InChIKeyKUAOZTBVPDNGCC-UHFFFAOYSA-N
XLogP1.79
TPSA35.81 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
N,N-dimethyl-1-[1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-2-yl]methanamine
CID 62888980
N-methyl-1-(6-pyrrolidin-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methanamine
CID 43476211
N-[[6-(2-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 54882321
1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]piperidine-3-carboxamide
CID 43476199
1-[6-(2,6-dimethylmorpholin-4-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 43476247
N-[[6-(2-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 43476226
N-[[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]propan-2-amine
CID 62124839
1-[6-(3-methoxy-4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 102961269
1-[6-[4-(cyclopropylmethyl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 61445305
1-[6-(2-methylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]propan-2-amine
CID 55237176

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNCc1c(N2CC3CCCN3CC2C)nc2sccn12.
What is the InChIKey of 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?
The InChIKey is KUAOZTBVPDNGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-11-9-18-5-3-4-12(18)10-20(11)14-13(8-16-2)19-6-7-21-15(19)17-14/h6-7,11-12,16H,3-5,8-10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 305.45 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 79929871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).