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

C14H11N3O2S — CID 600448

IUPAC2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1Nc2ccccc2C1=c1sc2n(c1=O)CCCN=2
InChIInChI=1S/C14H11N3O2S/c18-12-10(8-4-1-2-5-9(8)16-12)11-13(19)17-7-3-6-15-14(17)20-11/h1-2,4-5H,3,6-7H2,(H,16,18)
InChIKeyBDMKMSSYMHTMNQ-UHFFFAOYSA-N
MW285.33 g/mol
LogP0.08
Rot. Bonds

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

2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 600448) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID600448
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESO=C1Nc2ccccc2C1=c1sc2n(c1=O)CCCN=2
InChIInChI=1S/C14H11N3O2S/c18-12-10(8-4-1-2-5-9(8)16-12)11-13(19)17-7-3-6-15-14(17)20-11/h1-2,4-5H,3,6-7H2,(H,16,18)
InChIKeyBDMKMSSYMHTMNQ-UHFFFAOYSA-N
XLogP0.08
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 600448) is 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is O=C1Nc2ccccc2C1=c1sc2n(c1=O)CCCN=2.
What is the InChIKey of 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is BDMKMSSYMHTMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-12-10(8-4-1-2-5-9(8)16-12)11-13(19)17-7-3-6-15-14(17)20-11/h1-2,4-5H,3,6-7H2,(H,16,18).
What are the key properties of 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 285.33 g/mol, XLogP of 0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1H-indol-3-ylidene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 600448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).