[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol

C15H23N3OS — CID 79920135

IUPAC[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCN3CCCCC3C2)nc1C1CC1
InChIInChI=1S/C15H23N3OS/c19-10-13-14(11-4-5-11)16-15(20-13)18-8-7-17-6-2-1-3-12(17)9-18/h11-12,19H,1-10H2
InChIKeyAIIZBMMNMFNUCL-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.19
Rot. Bonds3

About [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol

[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol (PubChem CID 79920135) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol
PubChem CID79920135
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol
SMILESOCc1sc(N2CCN3CCCCC3C2)nc1C1CC1
InChIInChI=1S/C15H23N3OS/c19-10-13-14(11-4-5-11)16-15(20-13)18-8-7-17-6-2-1-3-12(17)9-18/h11-12,19H,1-10H2
InChIKeyAIIZBMMNMFNUCL-UHFFFAOYSA-N
XLogP2.19
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[4-cyclopropyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916249
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 63915854
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol
CID 79937237
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511101
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 79924759
[4-cyclopropyl-2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 63918201
5-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97278378
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-1,3,4-thiadiazole
CID 79003212
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79935765
N-[(4-cyclopropyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82438001
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 79937420

Frequently Asked Questions

What is the IUPAC name of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol (CID 79920135) is [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol is OCc1sc(N2CCN3CCCCC3C2)nc1C1CC1.
What is the InChIKey of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
The InChIKey is AIIZBMMNMFNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c19-10-13-14(11-4-5-11)16-15(20-13)18-8-7-17-6-2-1-3-12(17)9-18/h11-12,19H,1-10H2.
What are the key properties of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol?
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol has a molecular weight of 293.44 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79920135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).