N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

C20H17N5O3S — CID 53338035

IUPACN-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESCn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C20H17N5O3S/c1-24-19(27)18-17(16(23-29-18)14-9-5-6-10-21-14)25(20(24)28)12-15(26)22-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyPLVKRPXAEBKYIF-UHFFFAOYSA-N
MW407.46 g/mol
LogP1.54
Rot. Bonds5

About N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (PubChem CID 53338035) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
PubChem CID53338035
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESCn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)NCc2ccccc2)c1=O
InChIInChI=1S/C20H17N5O3S/c1-24-19(27)18-17(16(23-29-18)14-9-5-6-10-21-14)25(20(24)28)12-15(26)22-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,26)
InChIKeyPLVKRPXAEBKYIF-UHFFFAOYSA-N
XLogP1.54
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-ethylphenyl)-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 53338036
2-(5,7-dioxo-6-propyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethylphenyl)acetamide
CID 53338042
N-benzyl-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502382
4-[(4-chlorophenyl)methyl]-6-ethyl-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidine-5,7-dione
CID 53169259
N-[(4-chlorophenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502441
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942
N-benzyl-2-(3-benzyl-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl)acetamide
CID 41233357
N-[(4-ethylphenyl)methyl]-2-(1-methyl-2,4-dioxo-7-phenylpyrimido[4,5-d]pyrimidin-3-yl)acetamide
CID 53116477
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
N-benzyl-2-[8-(benzylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 985871
2-(6-methyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 53153187
N-(3,5-dimethylphenyl)-2-(5-ethyl-7-oxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 171146110

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (CID 53338035) is N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is Cn1c(=O)c2snc(-c3ccccn3)c2n(CC(=O)NCc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The InChIKey is PLVKRPXAEBKYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c1-24-19(27)18-17(16(23-29-18)14-9-5-6-10-21-14)25(20(24)28)12-15(26)22-11-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,26).
What are the key properties of N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide has a molecular weight of 407.46 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-methyl-5,7-dioxo-3-pyridin-2-yl-[1,2]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 53338035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).