2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide

C15H14N2OS2 — CID 766891

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide
SMILESO=C(CSC1=NCCS1)Nc1cccc2ccccc12
InChIInChI=1S/C15H14N2OS2/c18-14(10-20-15-16-8-9-19-15)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,17,18)
InChIKeyWSIFIPYIDWFKSR-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.61
Rot. Bonds3

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide (PubChem CID 766891) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide
PubChem CID766891
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide
SMILESO=C(CSC1=NCCS1)Nc1cccc2ccccc12
InChIInChI=1S/C15H14N2OS2/c18-14(10-20-15-16-8-9-19-15)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,17,18)
InChIKeyWSIFIPYIDWFKSR-UHFFFAOYSA-N
XLogP3.61
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide (CID 766891) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide is O=C(CSC1=NCCS1)Nc1cccc2ccccc12.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide?
The InChIKey is WSIFIPYIDWFKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c18-14(10-20-15-16-8-9-19-15)17-13-7-3-5-11-4-1-2-6-12(11)13/h1-7H,8-10H2,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide has a molecular weight of 302.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 766891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).