N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide

C24H31N5O3S — CID 95917906

IUPACN-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide
SMILESCCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)N(CC)Cc2ccccc2)c1=O
InChIInChI=1S/C24H31N5O3S/c1-3-13-28-22(31)20-21(25-23(33-20)27-14-9-6-10-15-27)29(24(28)32)17-19(30)26(4-2)16-18-11-7-5-8-12-18/h5,7-8,11-12H,3-4,6,9-10,13-17H2,1-2H3
InChIKeyOLUZZTKEAINZNR-UHFFFAOYSA-N
MW469.61 g/mol
LogP3.07
Rot. Bonds8

About N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide

N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide (PubChem CID 95917906) has the molecular formula C24H31N5O3S and a molecular weight of 469.61 g/mol. Its IUPAC name is N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide
PubChem CID95917906
Molecular FormulaC24H31N5O3S
Molecular Weight469.61 g/mol
Exact Mass469.21
IUPAC NameN-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide
SMILESCCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)N(CC)Cc2ccccc2)c1=O
InChIInChI=1S/C24H31N5O3S/c1-3-13-28-22(31)20-21(25-23(33-20)27-14-9-6-10-15-27)29(24(28)32)17-19(30)26(4-2)16-18-11-7-5-8-12-18/h5,7-8,11-12H,3-4,6,9-10,13-17H2,1-2H3
InChIKeyOLUZZTKEAINZNR-UHFFFAOYSA-N
XLogP3.07
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.61
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 46391047
2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetonitrile
CID 95917887
N-(3,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833077
methyl 4-[[2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetyl]amino]benzoate
CID 50833686
2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-phenylacetamide
CID 46390951
N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 46390994
N-(2,5-difluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833476
2-(azepan-1-yl)-N-benzyl-N-ethylacetamide
CID 108998993
N-(4-ethoxyphenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833505
N-(3-chlorophenyl)-2-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 46390954
2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46391070
2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 50833609

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide?
The IUPAC name of N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide (CID 95917906) is N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide is CCCn1c(=O)c2sc(N3CCCCC3)nc2n(CC(=O)N(CC)Cc2ccccc2)c1=O.
What is the InChIKey of N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide?
The InChIKey is OLUZZTKEAINZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3S/c1-3-13-28-22(31)20-21(25-23(33-20)27-14-9-6-10-15-27)29(24(28)32)17-19(30)26(4-2)16-18-11-7-5-8-12-18/h5,7-8,11-12H,3-4,6,9-10,13-17H2,1-2H3.
What are the key properties of N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide?
N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide has a molecular weight of 469.61 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-ethylacetamide is sourced from PubChem (CID 95917906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).