N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine

C14H21N5S — CID 63026386

IUPACN-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCn3ccnc3C2)nc1C
InChIInChI=1S/C14H21N5S/c1-3-4-15-9-12-11(2)17-14(20-12)19-8-7-18-6-5-16-13(18)10-19/h5-6,15H,3-4,7-10H2,1-2H3
InChIKeyWXYOCAIXMWKEIY-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.17
Rot. Bonds5

About N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 63026386) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID63026386
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCn3ccnc3C2)nc1C
InChIInChI=1S/C14H21N5S/c1-3-4-15-9-12-11(2)17-14(20-12)19-8-7-18-6-5-16-13(18)10-19/h5-6,15H,3-4,7-10H2,1-2H3
InChIKeyWXYOCAIXMWKEIY-UHFFFAOYSA-N
XLogP2.17
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(azocan-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 55117264
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63026545
N-[[6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pyridazin-3-yl]methyl]propan-1-amine
CID 63026518
N-[[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62767244
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511034
[4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
CID 80692602
N-[[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107556729
4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-methyl-N-propylpyrimidin-2-amine
CID 80831413
N-[[2-chloro-6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)phenyl]methyl]propan-1-amine
CID 63026253
N-[[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82427959
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde
CID 63026377
N-[[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 64580444

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 63026386) is N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCn3ccnc3C2)nc1C.
What is the InChIKey of N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is WXYOCAIXMWKEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-3-4-15-9-12-11(2)17-14(20-12)19-8-7-18-6-5-16-13(18)10-19/h5-6,15H,3-4,7-10H2,1-2H3.
What are the key properties of N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63026386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).