[8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone

C24H24N6O2S2 — CID 67452190

IUPAC[8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESCC1c2nnc(-c3csc(N4CCOCC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C24H24N6O2S2/c1-16-21-26-27-22(19-15-34-24(25-19)28-10-12-32-13-11-28)30(21)9-8-29(16)23(31)18-6-4-17(5-7-18)20-3-2-14-33-20/h2-7,14-16H,8-13H2,1H3
InChIKeyKZIWVFUQLZJSRF-UHFFFAOYSA-N
MW492.63 g/mol
LogP4.18
Rot. Bonds4

About [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone

[8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone (PubChem CID 67452190) has the molecular formula C24H24N6O2S2 and a molecular weight of 492.63 g/mol. Its IUPAC name is [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone.

Molecular Properties

Compound Name[8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
PubChem CID67452190
Molecular FormulaC24H24N6O2S2
Molecular Weight492.63 g/mol
Exact Mass492.14
IUPAC Name[8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
SMILESCC1c2nnc(-c3csc(N4CCOCC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1
InChIInChI=1S/C24H24N6O2S2/c1-16-21-26-27-22(19-15-34-24(25-19)28-10-12-32-13-11-28)30(21)9-8-29(16)23(31)18-6-4-17(5-7-18)20-3-2-14-33-20/h2-7,14-16H,8-13H2,1H3
InChIKeyKZIWVFUQLZJSRF-UHFFFAOYSA-N
XLogP4.18
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.63
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[(8S)-3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 71225035
[3-[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 53482657
[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 71549769
[8-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone
CID 71225138
(4-fluorophenyl)-[(8S)-8-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67451093
[(8R)-8-methyl-3-(2-phenyl-1,3-oxazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone
CID 71225004
(8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-phenylphenyl)methanone
CID 71225081
(3,4-difluorophenyl)-[(8R)-8-methyl-3-[2-(trifluoromethyl)-1,3-thiazol-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 86274838
[(8R)-8-methyl-3-(2-methyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4,5-trifluorophenyl)methanone
CID 122595701
[(8R)-3-(2-cyclopropyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(3,4-difluorophenyl)methanone
CID 155711731
[3-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 67451720
(4-fluorophenyl)-[8-methyl-3-(2-phenyl-1,3-oxazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 53482596

Frequently Asked Questions

What is the IUPAC name of [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The IUPAC name of [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone (CID 67452190) is [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone.
What is the SMILES notation for [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The canonical SMILES for [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone is CC1c2nnc(-c3csc(N4CCOCC4)n3)n2CCN1C(=O)c1ccc(-c2cccs2)cc1.
What is the InChIKey of [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
The InChIKey is KZIWVFUQLZJSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2S2/c1-16-21-26-27-22(19-15-34-24(25-19)28-10-12-32-13-11-28)30(21)9-8-29(16)23(31)18-6-4-17(5-7-18)20-3-2-14-33-20/h2-7,14-16H,8-13H2,1H3.
What are the key properties of [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone?
[8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone has a molecular weight of 492.63 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone is sourced from PubChem (CID 67452190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).