6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H15N3O2S — CID 3242984

IUPAC6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCCc2ccccc21
InChIInChI=1S/C16H15N3O2S/c20-14(12-10-17-16-19(15(12)21)8-9-22-16)18-7-3-5-11-4-1-2-6-13(11)18/h1-2,4,6,10H,3,5,7-9H2
InChIKeyFCEDSBXAVBZZTF-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.94
Rot. Bonds1

About 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 3242984) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID3242984
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCCc2ccccc21
InChIInChI=1S/C16H15N3O2S/c20-14(12-10-17-16-19(15(12)21)8-9-22-16)18-7-3-5-11-4-1-2-6-13(11)18/h1-2,4,6,10H,3,5,7-9H2
InChIKeyFCEDSBXAVBZZTF-UHFFFAOYSA-N
XLogP1.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 3242984) is 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCCc2ccccc21.
What is the InChIKey of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FCEDSBXAVBZZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-14(12-10-17-16-19(15(12)21)8-9-22-16)18-7-3-5-11-4-1-2-6-13(11)18/h1-2,4,6,10H,3,5,7-9H2.
What are the key properties of 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 313.38 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-quinoline-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 3242984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).