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

C25H25N5O4S — CID 39859192

IUPACN-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2nc(N3CCOCC3)sc21
InChIInChI=1S/C25H25N5O4S/c1-2-34-19-11-7-6-10-18(19)26-20(31)16-30-23-22(28-25(35-23)29-12-14-33-15-13-29)21(27-24(30)32)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,26,31)
InChIKeyLVSQZNCUVGEWFH-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.39
Rot. Bonds7

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

N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide (PubChem CID 39859192) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide
PubChem CID39859192
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2nc(N3CCOCC3)sc21
InChIInChI=1S/C25H25N5O4S/c1-2-34-19-11-7-6-10-18(19)26-20(31)16-30-23-22(28-25(35-23)29-12-14-33-15-13-29)21(27-24(30)32)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,26,31)
InChIKeyLVSQZNCUVGEWFH-UHFFFAOYSA-N
XLogP3.39
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide (CID 39859192) is N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide is CCOc1ccccc1NC(=O)Cn1c(=O)nc(-c2ccccc2)c2nc(N3CCOCC3)sc21.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide?
The InChIKey is LVSQZNCUVGEWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-2-34-19-11-7-6-10-18(19)26-20(31)16-30-23-22(28-25(35-23)29-12-14-33-15-13-29)21(27-24(30)32)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,26,31).
What are the key properties of N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide?
N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide has a molecular weight of 491.57 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(2-morpholin-4-yl-5-oxo-7-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 39859192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).