2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C14H16N2OS2 — CID 16615164

IUPAC2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CSCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N2OS2/c1-10-3-5-12(6-4-10)8-18-9-13(17)16-14-15-11(2)7-19-14/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyIOXLZLKZIXTDOA-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.63
Rot. Bonds5

About 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 16615164) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID16615164
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CSCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C14H16N2OS2/c1-10-3-5-12(6-4-10)8-18-9-13(17)16-14-15-11(2)7-19-14/h3-7H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyIOXLZLKZIXTDOA-UHFFFAOYSA-N
XLogP3.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16547912
2-(2-amino-2-methylpropyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66224014
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 16545610
2-methyl-2-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 81223615
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 7920080
2-(4-bromophenyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 798801
methyl 2-[2-[(2-benzylsulfanylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 35163203
methyl 2-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103683
ethyl 4-[2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]-1,3-thiazol-4-yl]benzoate
CID 2334522
2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2995110
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
4-[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361496

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 16615164) is 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1ccc(CSCC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is IOXLZLKZIXTDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-3-5-12(6-4-10)8-18-9-13(17)16-14-15-11(2)7-19-14/h3-7H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 292.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 16615164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).