2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

C20H20N6O4S — CID 46889991

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C20H20N6O4S/c1-4-30-14-8-6-5-7-12(14)13-10-31-19(22-13)23-15(27)9-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2/h5-8,10-11H,4,9H2,1-3H3,(H,22,23,27)
InChIKeyVSDUCUFLGIMULK-UHFFFAOYSA-N
MW440.49 g/mol
LogP1.59
Rot. Bonds6

About 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 46889991) has the molecular formula C20H20N6O4S and a molecular weight of 440.49 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID46889991
Molecular FormulaC20H20N6O4S
Molecular Weight440.49 g/mol
Exact Mass440.13
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCCOc1ccccc1-c1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C20H20N6O4S/c1-4-30-14-8-6-5-7-12(14)13-10-31-19(22-13)23-15(27)9-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2/h5-8,10-11H,4,9H2,1-3H3,(H,22,23,27)
InChIKeyVSDUCUFLGIMULK-UHFFFAOYSA-N
XLogP1.59
TPSA113.04 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 46889991) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is CCOc1ccccc1-c1csc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is VSDUCUFLGIMULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O4S/c1-4-30-14-8-6-5-7-12(14)13-10-31-19(22-13)23-15(27)9-26-11-21-17-16(26)18(28)25(3)20(29)24(17)2/h5-8,10-11H,4,9H2,1-3H3,(H,22,23,27).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 440.49 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 46889991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).