N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

C22H27N5O3S — CID 46390994

IUPACN-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESCCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O
InChIInChI=1S/C22H27N5O3S/c1-4-7-26-20(29)18-19(24-21(31-18)25-8-5-6-9-25)27(22(26)30)13-17(28)23-16-11-14(2)10-15(3)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,28)
InChIKeyIIPBCQSVPIXNBN-UHFFFAOYSA-N
MW441.56 g/mol
LogP2.89
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide

N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide (PubChem CID 46390994) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
PubChem CID46390994
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC NameN-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
SMILESCCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O
InChIInChI=1S/C22H27N5O3S/c1-4-7-26-20(29)18-19(24-21(31-18)25-8-5-6-9-25)27(22(26)30)13-17(28)23-16-11-14(2)10-15(3)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,28)
InChIKeyIIPBCQSVPIXNBN-UHFFFAOYSA-N
XLogP2.89
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-(3-chloro-4-fluorophenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 50833155
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
N-(3,5-difluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 50833767
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-(6-ethyl-5,7-dioxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)-N-phenylacetamide
CID 46390951
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
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
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-(5-chloro-2-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)-5,7-dioxo-6-propyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide
CID 46391066
N-(4-acetylphenyl)-2-(5,7-dioxo-2-piperidin-1-yl-6-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide
CID 46391077

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The IUPAC name of 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) is N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cc(C)cc(C)c2)c1=O.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
The InChIKey is IIPBCQSVPIXNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-4-7-26-20(29)18-19(24-21(31-18)25-8-5-6-9-25)27(22(26)30)13-17(28)23-16-11-14(2)10-15(3)12-16/h10-12H,4-9,13H2,1-3H3,(H,23,28).
What are the key properties of N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide has a molecular weight of 441.56 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(5,7-dioxo-6-propyl-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 46390994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).