2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide

C23H22N2OS2 — CID 112762273

IUPAC2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1CSC1=NCCS1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22N2OS2/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)25-22(26)21-9-5-4-8-20(21)15-28-23-24-12-13-27-23/h2-11,14,16H,12-13,15H2,1H3,(H,25,26)
InChIKeyXAISWTNTGSATTD-UHFFFAOYSA-N
MW406.58 g/mol
LogP5.67
Rot. Bonds5

About 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide (PubChem CID 112762273) has the molecular formula C23H22N2OS2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide
PubChem CID112762273
Molecular FormulaC23H22N2OS2
Molecular Weight406.58 g/mol
Exact Mass406.12
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1ccccc1CSC1=NCCS1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22N2OS2/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)25-22(26)21-9-5-4-8-20(21)15-28-23-24-12-13-27-23/h2-11,14,16H,12-13,15H2,1H3,(H,25,26)
InChIKeyXAISWTNTGSATTD-UHFFFAOYSA-N
XLogP5.67
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.58
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-bromophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112761890
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112793420
N-[2-(diethylamino)-2-phenylethyl]-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 112765000
2-chloro-N-(1-naphthalen-2-ylethyl)benzamide
CID 2950656
N-(3-bromophenyl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 8713840
(4-methoxycarbonylphenyl) 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 8961251
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate
CID 7805172
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 112803520
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzamide
CID 35074247
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)benzamide
CID 112807871
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-[3-(N-ethylanilino)propyl]benzamide
CID 112809982
2-(ethylsulfanylmethyl)-N-[(1R)-1-phenylethyl]benzamide
CID 167985714

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide (CID 112762273) is 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide is CC(NC(=O)c1ccccc1CSC1=NCCS1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide?
The InChIKey is XAISWTNTGSATTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS2/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)25-22(26)21-9-5-4-8-20(21)15-28-23-24-12-13-27-23/h2-11,14,16H,12-13,15H2,1H3,(H,25,26).
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide?
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide has a molecular weight of 406.58 g/mol, XLogP of 5.67, 5 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-ylsulfanylmethyl)-N-(1-naphthalen-2-ylethyl)benzamide is sourced from PubChem (CID 112762273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).