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

C18H16N6O3S — CID 1164343

IUPAC2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3)cs2)n(C)c1=O
InChIInChI=1S/C18H16N6O3S/c1-22-15-14(16(26)23(2)18(22)27)24(10-19-15)8-13(25)21-17-20-12(9-28-17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,20,21,25)
InChIKeyRSJUDQAOSDZZLB-UHFFFAOYSA-N
MW396.43 g/mol
LogP1.20
Rot. Bonds4

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

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1164343) has the molecular formula C18H16N6O3S and a molecular weight of 396.43 g/mol. Its IUPAC name is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
PubChem CID1164343
Molecular FormulaC18H16N6O3S
Molecular Weight396.43 g/mol
Exact Mass396.10
IUPAC Name2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
SMILESCn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3)cs2)n(C)c1=O
InChIInChI=1S/C18H16N6O3S/c1-22-15-14(16(26)23(2)18(22)27)24(10-19-15)8-13(25)21-17-20-12(9-28-17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,20,21,25)
InChIKeyRSJUDQAOSDZZLB-UHFFFAOYSA-N
XLogP1.20
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CID 1164343) is 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is Cn1c(=O)c2c(ncn2CC(=O)Nc2nc(-c3ccccc3)cs2)n(C)c1=O.
What is the InChIKey of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RSJUDQAOSDZZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S/c1-22-15-14(16(26)23(2)18(22)27)24(10-19-15)8-13(25)21-17-20-12(9-28-17)11-6-4-3-5-7-11/h3-7,9-10H,8H2,1-2H3,(H,20,21,25).
What are the key properties of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide?
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 396.43 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1164343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).