N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

C15H15N3O2S2 — CID 51530405

IUPACN-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCSc1ccccc1NC(=O)C[C@H]1CSc2nccc(=O)n21
InChIInChI=1S/C15H15N3O2S2/c1-21-12-5-3-2-4-11(12)17-13(19)8-10-9-22-15-16-7-6-14(20)18(10)15/h2-7,10H,8-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyLXLFLIZJGZCRQJ-JTQLQIEISA-N
MW333.44 g/mol
LogP2.64
Rot. Bonds4

About N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide

N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (PubChem CID 51530405) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
PubChem CID51530405
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide
SMILESCSc1ccccc1NC(=O)C[C@H]1CSc2nccc(=O)n21
InChIInChI=1S/C15H15N3O2S2/c1-21-12-5-3-2-4-11(12)17-13(19)8-10-9-22-15-16-7-6-14(20)18(10)15/h2-7,10H,8-9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyLXLFLIZJGZCRQJ-JTQLQIEISA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]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-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide (CID 51530405) is N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is CSc1ccccc1NC(=O)C[C@H]1CSc2nccc(=O)n21.
What is the InChIKey of N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
The InChIKey is LXLFLIZJGZCRQJ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-21-12-5-3-2-4-11(12)17-13(19)8-10-9-22-15-16-7-6-14(20)18(10)15/h2-7,10H,8-9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide?
N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)-2-[(3S)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 51530405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).