N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine

C15H26N4S — CID 79934751

IUPACN-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CC3CCCCN3CC2C)s1
InChIInChI=1S/C15H26N4S/c1-3-16-15-17-8-14(20-15)11-19-10-13-6-4-5-7-18(13)9-12(19)2/h8,12-13H,3-7,9-11H2,1-2H3,(H,16,17)
InChIKeyJBDDFGODNYXIGP-UHFFFAOYSA-N
MW294.47 g/mol
LogP2.63
Rot. Bonds4

About N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine

N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 79934751) has the molecular formula C15H26N4S and a molecular weight of 294.47 g/mol. Its IUPAC name is N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID79934751
Molecular FormulaC15H26N4S
Molecular Weight294.47 g/mol
Exact Mass294.19
IUPAC NameN-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCNc1ncc(CN2CC3CCCCN3CC2C)s1
InChIInChI=1S/C15H26N4S/c1-3-16-15-17-8-14(20-15)11-19-10-13-6-4-5-7-18(13)9-12(19)2/h8,12-13H,3-7,9-11H2,1-2H3,(H,16,17)
InChIKeyJBDDFGODNYXIGP-UHFFFAOYSA-N
XLogP2.63
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyrazin-2-amine
CID 103056665
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772491
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772211
N-methyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]pyridin-2-amine
CID 79935171
(3R,8aR)-3-methyl-2-[(5-methylthiophen-2-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792176
N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine
CID 79774443
methyl 1-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylate
CID 79771450
(3R,8aR)-3-methyl-2-(thiophen-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792153
trimethyl-[4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]phenyl]silane
CID 103438477
5-[(2,6-dimethylpiperidin-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79771437
2-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926602
N-[[5-methyl-4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 80719688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine (CID 79934751) is N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine is CCNc1ncc(CN2CC3CCCCN3CC2C)s1.
What is the InChIKey of N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is JBDDFGODNYXIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S/c1-3-16-15-17-8-14(20-15)11-19-10-13-6-4-5-7-18(13)9-12(19)2/h8,12-13H,3-7,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine?
N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 294.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79934751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).