2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

C17H20N6O2S — CID 90545045

IUPAC2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H20N6O2S/c1-11-6-16(25)23-12(9-26-17(23)20-11)7-15(24)21-13-8-14(19-10-18-13)22-4-2-3-5-22/h6,8,10,12H,2-5,7,9H2,1H3,(H,18,19,21,24)
InChIKeyBGFPBHHARPDECA-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.62
Rot. Bonds4

About 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (PubChem CID 90545045) has the molecular formula C17H20N6O2S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
PubChem CID90545045
Molecular FormulaC17H20N6O2S
Molecular Weight372.45 g/mol
Exact Mass372.14
IUPAC Name2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(N2CCCC2)ncn1
InChIInChI=1S/C17H20N6O2S/c1-11-6-16(25)23-12(9-26-17(23)20-11)7-15(24)21-13-8-14(19-10-18-13)22-4-2-3-5-22/h6,8,10,12H,2-5,7,9H2,1H3,(H,18,19,21,24)
InChIKeyBGFPBHHARPDECA-UHFFFAOYSA-N
XLogP1.62
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide (CID 90545045) is 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)Nc1cc(N2CCCC2)ncn1.
What is the InChIKey of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
The InChIKey is BGFPBHHARPDECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S/c1-11-6-16(25)23-12(9-26-17(23)20-11)7-15(24)21-13-8-14(19-10-18-13)22-4-2-3-5-22/h6,8,10,12H,2-5,7,9H2,1H3,(H,18,19,21,24).
What are the key properties of 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide?
2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide has a molecular weight of 372.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 90545045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).