N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide

C15H13N3O2S2 — CID 20939248

IUPACN-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1SCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H13N3O2S2/c1-10(19)16-12-4-2-3-5-13(12)22-9-11-8-14(20)18-6-7-21-15(18)17-11/h2-8H,9H2,1H3,(H,16,19)
InChIKeyKDBAFONHLNXUKN-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.01
Rot. Bonds4

About N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide

N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide (PubChem CID 20939248) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide
PubChem CID20939248
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1SCc1cc(=O)n2ccsc2n1
InChIInChI=1S/C15H13N3O2S2/c1-10(19)16-12-4-2-3-5-13(12)22-9-11-8-14(20)18-6-7-21-15(18)17-11/h2-8H,9H2,1H3,(H,16,19)
InChIKeyKDBAFONHLNXUKN-UHFFFAOYSA-N
XLogP3.01
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide (CID 20939248) is N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccccc1SCc1cc(=O)n2ccsc2n1.
What is the InChIKey of N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide?
The InChIKey is KDBAFONHLNXUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-10(19)16-12-4-2-3-5-13(12)22-9-11-8-14(20)18-6-7-21-15(18)17-11/h2-8H,9H2,1H3,(H,16,19).
What are the key properties of N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide?
N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 20939248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).