2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide

C16H16N4O2S — CID 44782684

IUPAC2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide
SMILESO=C(CNc1cnc2sccn2c1=O)NCCc1ccccc1
InChIInChI=1S/C16H16N4O2S/c21-14(17-7-6-12-4-2-1-3-5-12)11-18-13-10-19-16-20(15(13)22)8-9-23-16/h1-5,8-10,18H,6-7,11H2,(H,17,21)
InChIKeyBECGIUUWXFQGQF-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.53
Rot. Bonds6

About 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide

2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 44782684) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide
PubChem CID44782684
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide
SMILESO=C(CNc1cnc2sccn2c1=O)NCCc1ccccc1
InChIInChI=1S/C16H16N4O2S/c21-14(17-7-6-12-4-2-1-3-5-12)11-18-13-10-19-16-20(15(13)22)8-9-23-16/h1-5,8-10,18H,6-7,11H2,(H,17,21)
InChIKeyBECGIUUWXFQGQF-UHFFFAOYSA-N
XLogP1.53
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide (CID 44782684) is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide is O=C(CNc1cnc2sccn2c1=O)NCCc1ccccc1.
What is the InChIKey of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is BECGIUUWXFQGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-14(17-7-6-12-4-2-1-3-5-12)11-18-13-10-19-16-20(15(13)22)8-9-23-16/h1-5,8-10,18H,6-7,11H2,(H,17,21).
What are the key properties of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide?
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 44782684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).