6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione

C20H23N3O6S2 — CID 55596334

IUPAC6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOc1ccc(-c2nc(CS(=O)(=O)Cc3cc(=O)n(C)c(=O)n3C)cs2)cc1OC
InChIInChI=1S/C20H23N3O6S2/c1-5-29-16-7-6-13(8-17(16)28-4)19-21-14(10-30-19)11-31(26,27)12-15-9-18(24)23(3)20(25)22(15)2/h6-10H,5,11-12H2,1-4H3
InChIKeyQQBKEYFBOPAUPF-UHFFFAOYSA-N
MW465.55 g/mol
LogP1.73
Rot. Bonds8

About 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 55596334) has the molecular formula C20H23N3O6S2 and a molecular weight of 465.55 g/mol. Its IUPAC name is 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID55596334
Molecular FormulaC20H23N3O6S2
Molecular Weight465.55 g/mol
Exact Mass465.10
IUPAC Name6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCOc1ccc(-c2nc(CS(=O)(=O)Cc3cc(=O)n(C)c(=O)n3C)cs2)cc1OC
InChIInChI=1S/C20H23N3O6S2/c1-5-29-16-7-6-13(8-17(16)28-4)19-21-14(10-30-19)11-31(26,27)12-15-9-18(24)23(3)20(25)22(15)2/h6-10H,5,11-12H2,1-4H3
InChIKeyQQBKEYFBOPAUPF-UHFFFAOYSA-N
XLogP1.73
TPSA109.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonylmethyl]-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 47022727
4-(2-butoxyethylsulfonylmethyl)-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 47061219
4-[(5-bromo-2-pyridinyl)sulfonylmethyl]-2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazole
CID 112816975
2-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 31872902
N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 4826071
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
1-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-nitropyridin-2-one
CID 18202279
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 30043651
3-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 112786114
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933703
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 55596334) is 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione is CCOc1ccc(-c2nc(CS(=O)(=O)Cc3cc(=O)n(C)c(=O)n3C)cs2)cc1OC.
What is the InChIKey of 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QQBKEYFBOPAUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O6S2/c1-5-29-16-7-6-13(8-17(16)28-4)19-21-14(10-30-19)11-31(26,27)12-15-9-18(24)23(3)20(25)22(15)2/h6-10H,5,11-12H2,1-4H3.
What are the key properties of 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 465.55 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfonylmethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 55596334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).