N-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C19H21N3O3S — CID 16868690

IUPACN-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)cc1
InChIInChI=1S/C19H21N3O3S/c1-11(2)16-9-18(25)22-15(10-26-19(22)21-16)8-17(24)20-14-6-4-13(5-7-14)12(3)23/h4-7,9,11,15H,8,10H2,1-3H3,(H,20,24)
InChIKeyHGMJJDHJFJAQKR-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.24
Rot. Bonds5

About N-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 16868690) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID16868690
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)cc1
InChIInChI=1S/C19H21N3O3S/c1-11(2)16-9-18(25)22-15(10-26-19(22)21-16)8-17(24)20-14-6-4-13(5-7-14)12(3)23/h4-7,9,11,15H,8,10H2,1-3H3,(H,20,24)
InChIKeyHGMJJDHJFJAQKR-UHFFFAOYSA-N
XLogP3.24
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-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-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 16868690) is N-(4-acetylphenyl)-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-(4-acetylphenyl)-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-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is CC(=O)c1ccc(NC(=O)CC2CSc3nc(C(C)C)cc(=O)n32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is HGMJJDHJFJAQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-11(2)16-9-18(25)22-15(10-26-19(22)21-16)8-17(24)20-14-6-4-13(5-7-14)12(3)23/h4-7,9,11,15H,8,10H2,1-3H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-2-(5-oxo-7-propan-2-yl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-(4-acetylphenyl)-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 371.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-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 16868690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).