3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone

C21H21N3O3S — CID 24678506

IUPAC3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCOc1ccc(-c2nc(C)c(C(=O)N3CCCc4ncccc43)s2)cc1OC
InChIInChI=1S/C21H21N3O3S/c1-13-19(21(25)24-11-5-6-15-16(24)7-4-10-22-15)28-20(23-13)14-8-9-17(26-2)18(12-14)27-3/h4,7-10,12H,5-6,11H2,1-3H3
InChIKeyMOGUWGGJNWFJEM-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.12
Rot. Bonds4

About 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone

3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 24678506) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID24678506
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCOc1ccc(-c2nc(C)c(C(=O)N3CCCc4ncccc43)s2)cc1OC
InChIInChI=1S/C21H21N3O3S/c1-13-19(21(25)24-11-5-6-15-16(24)7-4-10-22-15)28-20(23-13)14-8-9-17(26-2)18(12-14)27-3/h4,7-10,12H,5-6,11H2,1-3H3
InChIKeyMOGUWGGJNWFJEM-UHFFFAOYSA-N
XLogP4.12
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46491157
(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
1-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 45341282
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 154737683
[2-(aminomethyl)pyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119633380
2-(3,4-dimethoxyphenyl)-4-methyl-N-(2-piperidin-1-ylphenyl)-1,3-thiazole-5-carboxamide
CID 18280439
[(2R)-2-benzylpyrrolidin-1-yl]-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 32825320
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
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]-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 55651256
[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 55805452

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone (CID 24678506) is 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone is COc1ccc(-c2nc(C)c(C(=O)N3CCCc4ncccc43)s2)cc1OC.
What is the InChIKey of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is MOGUWGGJNWFJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-13-19(21(25)24-11-5-6-15-16(24)7-4-10-22-15)28-20(23-13)14-8-9-17(26-2)18(12-14)27-3/h4,7-10,12H,5-6,11H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 395.48 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,5-naphthyridin-1-yl-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 24678506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).