N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide

C23H20N2OS2 — CID 7402812

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CSc3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C23H20N2OS2/c1-15-7-8-16(2)20(11-15)21-13-28-23(24-21)25-22(26)14-27-19-10-9-17-5-3-4-6-18(17)12-19/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeyXFIWJAFWPVQUND-UHFFFAOYSA-N
MW404.56 g/mol
LogP6.31
Rot. Bonds5

About N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide (PubChem CID 7402812) has the molecular formula C23H20N2OS2 and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
PubChem CID7402812
Molecular FormulaC23H20N2OS2
Molecular Weight404.56 g/mol
Exact Mass404.10
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
SMILESCc1ccc(C)c(-c2csc(NC(=O)CSc3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C23H20N2OS2/c1-15-7-8-16(2)20(11-15)21-13-28-23(24-21)25-22(26)14-27-19-10-9-17-5-3-4-6-18(17)12-19/h3-13H,14H2,1-2H3,(H,24,25,26)
InChIKeyXFIWJAFWPVQUND-UHFFFAOYSA-N
XLogP6.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 39804824
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 735052
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7921833
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 7254533
4-methyl-N-[4-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]benzamide
CID 19712023
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151831
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-2-[(5-naphthalen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 112845436
2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylacetamide
CID 41151826
2-(2-fluorophenyl)sulfanyl-N-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 26723728
[2-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812672
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 18586091

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide (CID 7402812) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide is Cc1ccc(C)c(-c2csc(NC(=O)CSc3ccc4ccccc4c3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide?
The InChIKey is XFIWJAFWPVQUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2OS2/c1-15-7-8-16(2)20(11-15)21-13-28-23(24-21)25-22(26)14-27-19-10-9-17-5-3-4-6-18(17)12-19/h3-13H,14H2,1-2H3,(H,24,25,26).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide has a molecular weight of 404.56 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide is sourced from PubChem (CID 7402812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).