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

C20H23N5O2S — CID 50784828

IUPAC2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1
InChIInChI=1S/C20H23N5O2S/c1-13(2)14-5-7-15(8-6-14)22-16(26)11-25-12-21-18-17(19(25)27)28-20(23-18)24-9-3-4-10-24/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,26)
InChIKeyDHSMSBLIEKKGEW-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.22
Rot. Bonds5

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

2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 50784828) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID50784828
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1
InChIInChI=1S/C20H23N5O2S/c1-13(2)14-5-7-15(8-6-14)22-16(26)11-25-12-21-18-17(19(25)27)28-20(23-18)24-9-3-4-10-24/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,26)
InChIKeyDHSMSBLIEKKGEW-UHFFFAOYSA-N
XLogP3.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 50784828) is 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)Cn2cnc3nc(N4CCCC4)sc3c2=O)cc1.
What is the InChIKey of 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is DHSMSBLIEKKGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-13(2)14-5-7-15(8-6-14)22-16(26)11-25-12-21-18-17(19(25)27)28-20(23-18)24-9-3-4-10-24/h5-8,12-13H,3-4,9-11H2,1-2H3,(H,22,26).
What are the key properties of 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide?
2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 397.50 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-oxo-2-pyrrolidin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-6-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 50784828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).