4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one

C19H20N2OS — CID 11697092

IUPAC4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one
SMILESO=c1[nH]sc(C2CCNCC2)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2OS/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)
InChIKeyIRDWCVIRNKWGSM-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.65
Rot. Bonds3

About 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one

4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one (PubChem CID 11697092) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one
PubChem CID11697092
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one
SMILESO=c1[nH]sc(C2CCNCC2)c1Cc1ccc2ccccc2c1
InChIInChI=1S/C19H20N2OS/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)
InChIKeyIRDWCVIRNKWGSM-UHFFFAOYSA-N
XLogP3.65
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one?
The IUPAC name of 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one (CID 11697092) is 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one.
What is the SMILES notation for 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one?
The canonical SMILES for 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one is O=c1[nH]sc(C2CCNCC2)c1Cc1ccc2ccccc2c1.
What is the InChIKey of 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one?
The InChIKey is IRDWCVIRNKWGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22).
What are the key properties of 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one?
4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one has a molecular weight of 324.45 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-thiazol-3-one is sourced from PubChem (CID 11697092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).