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

C18H21N3O2S — CID 16868288

IUPAC2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2CSc3nc(CC)cc(=O)n32)cc1
InChIInChI=1S/C18H21N3O2S/c1-3-12-5-7-14(8-6-12)19-16(22)10-15-11-24-18-20-13(4-2)9-17(23)21(15)18/h5-9,15H,3-4,10-11H2,1-2H3,(H,19,22)
InChIKeyVZNZZCFVXLGBSL-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.04
Rot. Bonds5

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

2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 16868288) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
PubChem CID16868288
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CC2CSc3nc(CC)cc(=O)n32)cc1
InChIInChI=1S/C18H21N3O2S/c1-3-12-5-7-14(8-6-12)19-16(22)10-15-11-24-18-20-13(4-2)9-17(23)21(15)18/h5-9,15H,3-4,10-11H2,1-2H3,(H,19,22)
InChIKeyVZNZZCFVXLGBSL-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide (CID 16868288) is 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CC2CSc3nc(CC)cc(=O)n32)cc1.
What is the InChIKey of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is VZNZZCFVXLGBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-12-5-7-14(8-6-12)19-16(22)10-15-11-24-18-20-13(4-2)9-17(23)21(15)18/h5-9,15H,3-4,10-11H2,1-2H3,(H,19,22).
What are the key properties of 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide?
2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 343.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 16868288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).