2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole

C19H23N5O2S — CID 78107619

IUPAC2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(CN2CCn3c(-c4nc(C)cs4)nnc3C2C)c(OC)c1
InChIInChI=1S/C19H23N5O2S/c1-12-11-27-19(20-12)18-22-21-17-13(2)23(7-8-24(17)18)10-14-5-6-15(25-3)9-16(14)26-4/h5-6,9,11,13H,7-8,10H2,1-4H3
InChIKeyOASYJHVUBWJAMB-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.30
Rot. Bonds5

About 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole

2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole (PubChem CID 78107619) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole
PubChem CID78107619
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole
SMILESCOc1ccc(CN2CCn3c(-c4nc(C)cs4)nnc3C2C)c(OC)c1
InChIInChI=1S/C19H23N5O2S/c1-12-11-27-19(20-12)18-22-21-17-13(2)23(7-8-24(17)18)10-14-5-6-15(25-3)9-16(14)26-4/h5-6,9,11,13H,7-8,10H2,1-4H3
InChIKeyOASYJHVUBWJAMB-UHFFFAOYSA-N
XLogP3.30
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole with MolForge

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Related Compounds

4-cyclopropyl-2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1,3-thiazole
CID 155711765
4-[(8S)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2-ethenyl-1,3-thiazole
CID 71550620
4-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-2,5-dimethyl-1,3-thiazole
CID 71548645
2-[(8R)-7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-6-fluoro-1,3-benzothiazole
CID 162686449
7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 158626389
(5R)-4-[(2,4-dimethoxyphenyl)methyl]-6-ethoxy-5-methyl-3,5-dihydro-2H-pyrazine
CID 89488470
N-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 63363217
2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 167430782
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]azepan-2-yl]-3-methyl-1,2-oxazole
CID 92554036
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylazepane
CID 92878118
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3,5-dihydro-2H-1,4-oxazepine
CID 142727970
3-[1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 50809393

Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole (CID 78107619) is 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole is COc1ccc(CN2CCn3c(-c4nc(C)cs4)nnc3C2C)c(OC)c1.
What is the InChIKey of 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole?
The InChIKey is OASYJHVUBWJAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12-11-27-19(20-12)18-22-21-17-13(2)23(7-8-24(17)18)10-14-5-6-15(25-3)9-16(14)26-4/h5-6,9,11,13H,7-8,10H2,1-4H3.
What are the key properties of 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole?
2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole has a molecular weight of 385.49 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2,4-dimethoxyphenyl)methyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 78107619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).