2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C18H15N3O2S — CID 53247349

IUPAC2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1c1ccncc1
InChIInChI=1S/C18H15N3O2S/c22-18-17-15(8-11-21(18)13-6-9-19-10-7-13)20-16(24-17)12-23-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2
InChIKeyCPTTUNDKSIZMSM-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.32
Rot. Bonds4

About 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53247349) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53247349
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1c1ccncc1
InChIInChI=1S/C18H15N3O2S/c22-18-17-15(8-11-21(18)13-6-9-19-10-7-13)20-16(24-17)12-23-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2
InChIKeyCPTTUNDKSIZMSM-UHFFFAOYSA-N
XLogP3.32
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53247349) is 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(COc3ccccc3)nc2CCN1c1ccncc1.
What is the InChIKey of 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is CPTTUNDKSIZMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-18-17-15(8-11-21(18)13-6-9-19-10-7-13)20-16(24-17)12-23-14-4-2-1-3-5-14/h1-7,9-10H,8,11-12H2.
What are the key properties of 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-5-pyridin-4-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53247349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).