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

C16H15N3O2S2 — CID 46336450

IUPACN-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1SCc1cc(=O)n2cc(C)sc2n1
InChIInChI=1S/C16H15N3O2S2/c1-10-8-19-15(21)7-12(18-16(19)23-10)9-22-14-6-4-3-5-13(14)17-11(2)20/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeySPJGLIHRQFYRDV-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.32
Rot. Bonds4

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

N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide (PubChem CID 46336450) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide
PubChem CID46336450
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1SCc1cc(=O)n2cc(C)sc2n1
InChIInChI=1S/C16H15N3O2S2/c1-10-8-19-15(21)7-12(18-16(19)23-10)9-22-14-6-4-3-5-13(14)17-11(2)20/h3-8H,9H2,1-2H3,(H,17,20)
InChIKeySPJGLIHRQFYRDV-UHFFFAOYSA-N
XLogP3.32
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide (CID 46336450) is N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccccc1SCc1cc(=O)n2cc(C)sc2n1.
What is the InChIKey of N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide?
The InChIKey is SPJGLIHRQFYRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-8-19-15(21)7-12(18-16(19)23-10)9-22-14-6-4-3-5-13(14)17-11(2)20/h3-8H,9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide?
N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 46336450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).