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

C18H19N5O4S — CID 50784941

IUPACN-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1
InChIInChI=1S/C18H19N5O4S/c1-26-13-4-2-3-12(9-13)20-14(24)10-23-11-19-16-15(17(23)25)28-18(21-16)22-5-7-27-8-6-22/h2-4,9,11H,5-8,10H2,1H3,(H,20,24)
InChIKeyPQDDYJMKXDNIEY-UHFFFAOYSA-N
MW401.45 g/mol
LogP1.34
Rot. Bonds5

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

N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (PubChem CID 50784941) has the molecular formula C18H19N5O4S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
PubChem CID50784941
Molecular FormulaC18H19N5O4S
Molecular Weight401.45 g/mol
Exact Mass401.12
IUPAC NameN-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
SMILESCOc1cccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1
InChIInChI=1S/C18H19N5O4S/c1-26-13-4-2-3-12(9-13)20-14(24)10-23-11-19-16-15(17(23)25)28-18(21-16)22-5-7-27-8-6-22/h2-4,9,11H,5-8,10H2,1H3,(H,20,24)
InChIKeyPQDDYJMKXDNIEY-UHFFFAOYSA-N
XLogP1.34
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(3-chlorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784939
N-(3,5-dimethoxyphenyl)-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 20933913
methyl 2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetate
CID 95920452
N-(2,4-dimethylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784994
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785184
N-(3-methylsulfanylphenyl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785150
N-(3-fluorophenyl)-2-(7-oxo-2-thiomorpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50785361
N-(2-chloro-4-fluorophenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784970
N-(3-acetylphenyl)-2-[2-(4-ethylpiperazin-1-yl)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide
CID 50926914
2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 50784945
2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51369148
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-oxo-2-piperidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 50784906

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide (CID 50784941) is N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is COc1cccc(NC(=O)Cn2cnc3nc(N4CCOCC4)sc3c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
The InChIKey is PQDDYJMKXDNIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4S/c1-26-13-4-2-3-12(9-13)20-14(24)10-23-11-19-16-15(17(23)25)28-18(21-16)22-5-7-27-8-6-22/h2-4,9,11H,5-8,10H2,1H3,(H,20,24).
What are the key properties of N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide?
N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide has a molecular weight of 401.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(2-morpholin-4-yl-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 50784941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).