[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

C23H25N7O3S — CID 55651256

IUPAC[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)s2)cc1OC
InChIInChI=1S/C23H25N7O3S/c1-14-11-19(30-23(26-14)24-13-25-30)28-7-9-29(10-8-28)22(31)20-15(2)27-21(34-20)16-5-6-17(32-3)18(12-16)33-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyUBHGJDJYKVYVKP-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.84
Rot. Bonds5

About [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone

[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (PubChem CID 55651256) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
PubChem CID55651256
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC Name[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
SMILESCOc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)s2)cc1OC
InChIInChI=1S/C23H25N7O3S/c1-14-11-19(30-23(26-14)24-13-25-30)28-7-9-29(10-8-28)22(31)20-15(2)27-21(34-20)16-5-6-17(32-3)18(12-16)33-4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyUBHGJDJYKVYVKP-UHFFFAOYSA-N
XLogP2.84
TPSA97.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157
1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 45341282
(3-methoxyphenyl)-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 38014441
2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 43020040
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 154737683
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methanone
CID 42537603
2-[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 30688944
(2R)-1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371551
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 41247494
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55601212
furan-2-yl-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 646747
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(3,4-dimethylphenoxy)piperidin-1-yl]methanone
CID 55803749

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone (CID 55651256) is [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cc(C)nc5ncnn45)CC3)s2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
The InChIKey is UBHGJDJYKVYVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-14-11-19(30-23(26-14)24-13-25-30)28-7-9-29(10-8-28)22(31)20-15(2)27-21(34-20)16-5-6-17(32-3)18(12-16)33-4/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone?
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone has a molecular weight of 479.57 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 55651256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).