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N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

C21H18N4O4S — CID 50841617

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)c1
InChIInChI=1S/C21H18N4O4S/c1-28-14-8-9-16(29-2)15(10-14)23-17(26)11-25-12-22-19-18(13-6-4-3-5-7-13)24-30-20(19)21(25)27/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyMKVNKYZRMHBVJC-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.18
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 50841617) has the molecular formula C21H18N4O4S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID50841617
Molecular FormulaC21H18N4O4S
Molecular Weight422.47 g/mol
Exact Mass422.10
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)c1
InChIInChI=1S/C21H18N4O4S/c1-28-14-8-9-16(29-2)15(10-14)23-17(26)11-25-12-22-19-18(13-6-4-3-5-7-13)24-30-20(19)21(25)27/h3-10,12H,11H2,1-2H3,(H,23,26)
InChIKeyMKVNKYZRMHBVJC-UHFFFAOYSA-N
XLogP3.18
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 50841617) is N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is COc1ccc(OC)c(NC(=O)Cn2cnc3c(-c4ccccc4)nsc3c2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is MKVNKYZRMHBVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4S/c1-28-14-8-9-16(29-2)15(10-14)23-17(26)11-25-12-22-19-18(13-6-4-3-5-7-13)24-30-20(19)21(25)27/h3-10,12H,11H2,1-2H3,(H,23,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 422.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(7-oxo-3-phenyl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50841617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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