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

C17H18N2O2S — CID 53247219

IUPAC5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1CC1CC1
InChIInChI=1S/C17H18N2O2S/c20-17-16-14(8-9-19(17)10-12-6-7-12)18-15(22-16)11-21-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyUNKXYDTXEVFSAG-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.13
Rot. Bonds5

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

5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53247219) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53247219
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(COc3ccccc3)nc2CCN1CC1CC1
InChIInChI=1S/C17H18N2O2S/c20-17-16-14(8-9-19(17)10-12-6-7-12)18-15(22-16)11-21-13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyUNKXYDTXEVFSAG-UHFFFAOYSA-N
XLogP3.13
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53247219) is 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(COc3ccccc3)nc2CCN1CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is UNKXYDTXEVFSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-17-16-14(8-9-19(17)10-12-6-7-12)18-15(22-16)11-21-13-4-2-1-3-5-13/h1-5,12H,6-11H2.
What are the key properties of 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 314.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-2-(phenoxymethyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53247219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).