2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C16H13N3O3S — CID 911632

IUPAC2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCC(=O)N1C(=O)C(=c2sc3n(c2=O)CCCN=3)c2ccccc21
InChIInChI=1S/C16H13N3O3S/c1-9(20)19-11-6-3-2-5-10(11)12(14(19)21)13-15(22)18-8-4-7-17-16(18)23-13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyOLVNXNVDTSBKTO-UHFFFAOYSA-N
MW327.37 g/mol
LogP0.03
Rot. Bonds

About 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 911632) has the molecular formula C16H13N3O3S and a molecular weight of 327.37 g/mol. Its IUPAC name is 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID911632
Molecular FormulaC16H13N3O3S
Molecular Weight327.37 g/mol
Exact Mass327.07
IUPAC Name2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCC(=O)N1C(=O)C(=c2sc3n(c2=O)CCCN=3)c2ccccc21
InChIInChI=1S/C16H13N3O3S/c1-9(20)19-11-6-3-2-5-10(11)12(14(19)21)13-15(22)18-8-4-7-17-16(18)23-13/h2-3,5-6H,4,7-8H2,1H3
InChIKeyOLVNXNVDTSBKTO-UHFFFAOYSA-N
XLogP0.03
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 911632) is 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is CC(=O)N1C(=O)C(=c2sc3n(c2=O)CCCN=3)c2ccccc21.
What is the InChIKey of 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is OLVNXNVDTSBKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S/c1-9(20)19-11-6-3-2-5-10(11)12(14(19)21)13-15(22)18-8-4-7-17-16(18)23-13/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 327.37 g/mol, XLogP of 0.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetyl-2-oxoindol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 911632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).