(9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile

C18H25N5OS — CID 155784077

IUPAC(9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile
SMILESC[C@@]12CN(C#N)CCN1CCN(c1ncc(C3CCCCC3)s1)C2=O
InChIInChI=1S/C18H25N5OS/c1-18-12-21(13-19)7-8-22(18)9-10-23(16(18)24)17-20-11-15(25-17)14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3/t18-/m0/s1
InChIKeyUVOJOYNHGFXPSW-SFHVURJKSA-N
MW359.50 g/mol
LogP2.39
Rot. Bonds2

About (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile

(9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile (PubChem CID 155784077) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile.

Molecular Properties

Compound Name(9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile
PubChem CID155784077
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name(9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile
SMILESC[C@@]12CN(C#N)CCN1CCN(c1ncc(C3CCCCC3)s1)C2=O
InChIInChI=1S/C18H25N5OS/c1-18-12-21(13-19)7-8-22(18)9-10-23(16(18)24)17-20-11-15(25-17)14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3/t18-/m0/s1
InChIKeyUVOJOYNHGFXPSW-SFHVURJKSA-N
XLogP2.39
TPSA63.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9aS)-8-(5-cyclohexyl-1,3-thiazol-2-yl)-4,9-dioxo-3,6,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carbonitrile
CID 155784076
(9aR)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-8-ethynyl-3,4,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazin-1-one
CID 159040479
2-(2-cyclohexyl-4-fluoro-1,3-thiazol-5-yl)-1-oxo-3,4,6,7,9,9a-hexahydropyrazino[1,2-a]pyrazine-8-carbonitrile
CID 156534622
3-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)-1-methylcyclobutane-1-carboxamide
CID 159222013
N-(5-cyclohexyl-1,3-thiazol-2-yl)-3-(methylamino)cyclobutane-1-carboxamide
CID 155186238
(1R)-2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 138529996
1-(5-cyclohexyl-1,3-thiazol-2-yl)propan-2-amine
CID 83849991
2-(cyanoamino)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 138530017
cis-(1R,2S)-2-(cyanomethyl)-N-(5-cyclohexyl-1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 158612173
[(4R)-1-(5-tert-butyl-4-chloro-1,3-thiazol-2-yl)-2-oxoazocan-4-yl]cyanamide
CID 167110055
2-(2-amino-1,3-thiazol-5-yl)-1-ethylimidazolidin-4-one
CID 130650760
4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one
CID 63605835

Frequently Asked Questions

What is the IUPAC name of (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile?
The IUPAC name of (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile (CID 155784077) is (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile.
What is the SMILES notation for (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile?
The canonical SMILES for (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile is C[C@@]12CN(C#N)CCN1CCN(c1ncc(C3CCCCC3)s1)C2=O.
What is the InChIKey of (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile?
The InChIKey is UVOJOYNHGFXPSW-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-18-12-21(13-19)7-8-22(18)9-10-23(16(18)24)17-20-11-15(25-17)14-5-3-2-4-6-14/h11,14H,2-10,12H2,1H3/t18-/m0/s1.
What are the key properties of (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile?
(9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile has a molecular weight of 359.50 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-2-(5-cyclohexyl-1,3-thiazol-2-yl)-9a-methyl-1-oxo-4,6,7,9-tetrahydro-3H-pyrazino[1,2-a]pyrazine-8-carbonitrile is sourced from PubChem (CID 155784077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).