N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C18H21N3O2S — CID 16868636

IUPACN-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-12(2)15-9-17(23)21-14(11-24-18(21)20-15)8-16(22)19-10-13-6-4-3-5-7-13/h3-7,9,12,14H,8,10-11H2,1-2H3,(H,19,22)
InChIKeyGKPXATHSRZSBOF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.72
Rot. Bonds5

About N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868636) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868636
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCc1ccccc1
InChIInChI=1S/C18H21N3O2S/c1-12(2)15-9-17(23)21-14(11-24-18(21)20-15)8-16(22)19-10-13-6-4-3-5-7-13/h3-7,9,12,14H,8,10-11H2,1-2H3,(H,19,22)
InChIKeyGKPXATHSRZSBOF-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868636) is N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CC(C)c1cc(=O)n2c(n1)SCC2CC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is GKPXATHSRZSBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(2)15-9-17(23)21-14(11-24-18(21)20-15)8-16(22)19-10-13-6-4-3-5-7-13/h3-7,9,12,14H,8,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 16868636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).