N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide

C17H16N2O2S2 — CID 16850012

IUPACN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCSCc1csc(NC(=O)COc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H16N2O2S2/c1-22-10-14-11-23-17(18-14)19-16(20)9-21-15-7-6-12-4-2-3-5-13(12)8-15/h2-8,11H,9-10H2,1H3,(H,18,19,20)
InChIKeyBORMAPOGOGPPKN-UHFFFAOYSA-N
MW344.46 g/mol
LogP4.18
Rot. Bonds6

About N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide

N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide (PubChem CID 16850012) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
PubChem CID16850012
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC NameN-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide
SMILESCSCc1csc(NC(=O)COc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H16N2O2S2/c1-22-10-14-11-23-17(18-14)19-16(20)9-21-15-7-6-12-4-2-3-5-13(12)8-15/h2-8,11H,9-10H2,1H3,(H,18,19,20)
InChIKeyBORMAPOGOGPPKN-UHFFFAOYSA-N
XLogP4.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide (CID 16850012) is N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide is CSCc1csc(NC(=O)COc2ccc3ccccc3c2)n1.
What is the InChIKey of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
The InChIKey is BORMAPOGOGPPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-22-10-14-11-23-17(18-14)19-16(20)9-21-15-7-6-12-4-2-3-5-13(12)8-15/h2-8,11H,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide?
N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide has a molecular weight of 344.46 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 16850012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).