2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one

C16H17NOS — CID 101199621

IUPAC2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CSC1c1cccc2ccccc12
InChIInChI=1S/C16H17NOS/c1-11(2)17-15(18)10-19-16(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,16H,10H2,1-2H3
InChIKeyJGMIKCAQVKWUGA-UHFFFAOYSA-N
MW271.38 g/mol
LogP3.82
Rot. Bonds2

About 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one

2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one (PubChem CID 101199621) has the molecular formula C16H17NOS and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one
PubChem CID101199621
Molecular FormulaC16H17NOS
Molecular Weight271.38 g/mol
Exact Mass271.10
IUPAC Name2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one
SMILESCC(C)N1C(=O)CSC1c1cccc2ccccc12
InChIInChI=1S/C16H17NOS/c1-11(2)17-15(18)10-19-16(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,16H,10H2,1-2H3
InChIKeyJGMIKCAQVKWUGA-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one?
The IUPAC name of 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one (CID 101199621) is 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one is CC(C)N1C(=O)CSC1c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one?
The InChIKey is JGMIKCAQVKWUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS/c1-11(2)17-15(18)10-19-16(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11,16H,10H2,1-2H3.
What are the key properties of 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one?
2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one has a molecular weight of 271.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-3-propan-2-yl-1,3-thiazolidin-4-one is sourced from PubChem (CID 101199621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).