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

C19H21N5O3S — CID 50785186

IUPACN-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1
InChIInChI=1S/C19H21N5O3S/c1-13-2-4-14(5-3-13)10-20-15(25)11-24-12-21-17-16(18(24)26)28-19(22-17)23-6-8-27-9-7-23/h2-5,12H,6-11H2,1H3,(H,20,25)
InChIKeyCKQWNGTVGUEVAU-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.31
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 50785186) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID50785186
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCc1ccc(CNC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1
InChIInChI=1S/C19H21N5O3S/c1-13-2-4-14(5-3-13)10-20-15(25)11-24-12-21-17-16(18(24)26)28-19(22-17)23-6-8-27-9-7-23/h2-5,12H,6-11H2,1H3,(H,20,25)
InChIKeyCKQWNGTVGUEVAU-UHFFFAOYSA-N
XLogP1.31
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785162
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784994
N-[(2-chlorophenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785159
(3S)-1-[6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92883858
methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
CID 95920452
N-ethyl-1-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide
CID 53129061
N-(1,3-benzodioxol-5-ylmethyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785016
N-[(4-fluorophenyl)methyl]-2-[2-[(3S)-3-methylpiperidin-1-yl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 95182097
2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 50927787
N-(3-chlorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784939
N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784941
6-[2-(4-chlorophenyl)-2-oxoethyl]-2-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 95920439

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 50785186) is N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is Cc1ccc(CNC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is CKQWNGTVGUEVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-13-2-4-14(5-3-13)10-20-15(25)11-24-12-21-17-16(18(24)26)28-19(22-17)23-6-8-27-9-7-23/h2-5,12H,6-11H2,1H3,(H,20,25).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 399.48 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50785186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).