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

C15H13N3O2S2 — CID 20961886

IUPAC2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccccc1
InChIInChI=1S/C15H13N3O2S2/c19-13(16-11-4-2-1-3-5-11)10-21-9-12-8-14(20)18-6-7-22-15(18)17-12/h1-8H,9-10H2,(H,16,19)
InChIKeyHMGNJJARNOMYIM-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.63
Rot. Bonds5

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

2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide (PubChem CID 20961886) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide
PubChem CID20961886
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide
SMILESO=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccccc1
InChIInChI=1S/C15H13N3O2S2/c19-13(16-11-4-2-1-3-5-11)10-21-9-12-8-14(20)18-6-7-22-15(18)17-12/h1-8H,9-10H2,(H,16,19)
InChIKeyHMGNJJARNOMYIM-UHFFFAOYSA-N
XLogP2.63
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

BC11-38
CID 2052828
2-Butylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2155145
7-{[ethyl(4-Fluorophenyl)amino]methyl}-N,2-Dimethyl-5-Oxo-5h-[1,3]thiazolo[3,2-A]pyrimidine-3-Carboxamide
CID 118017587
2-Butan-2-ylsulfanyl-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3403301
3,4-dimethyl-2-methylimino-N-phenyl-1,3-thiazole-5-carboxamide
CID 2440663
N-methyl-2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio]-N-phenylacetamide
CID 135460600
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[(6-oxo-4-propyl-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135532255
7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 118017591
N-ethyl-7-[(N-ethyl-4-fluoroanilino)methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
CID 122438475
4(3H)-Pyrimidinone, 2-(methylthio)-3-phenyl-
CID 100235
2-(methylthio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756732
3-(4-fluorophenyl)-2-(methylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 756752

Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide (CID 20961886) is 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide is O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccccc1.
What is the InChIKey of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide?
The InChIKey is HMGNJJARNOMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-13(16-11-4-2-1-3-5-11)10-21-9-12-8-14(20)18-6-7-22-15(18)17-12/h1-8H,9-10H2,(H,16,19).
What are the key properties of 2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide?
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-phenylacetamide has a molecular weight of 331.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 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-7-yl)methylsulfanyl]-N-phenylacetamide is sourced from PubChem (CID 20961886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).