N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

C15H14N4O2S2 — CID 3240622

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)Nc3cc(C)on3)n2)c1
InChIInChI=1S/C15H14N4O2S2/c1-9-4-3-5-11(6-9)14-17-15(23-19-14)22-8-13(20)16-12-7-10(2)21-18-12/h3-7H,8H2,1-2H3,(H,16,18,20)
InChIKeyDCQPDJQSNYDWAG-UHFFFAOYSA-N
MW346.44 g/mol
LogP3.54
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (PubChem CID 3240622) has the molecular formula C15H14N4O2S2 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
PubChem CID3240622
Molecular FormulaC15H14N4O2S2
Molecular Weight346.44 g/mol
Exact Mass346.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
SMILESCc1cccc(-c2nsc(SCC(=O)Nc3cc(C)on3)n2)c1
InChIInChI=1S/C15H14N4O2S2/c1-9-4-3-5-11(6-9)14-17-15(23-19-14)22-8-13(20)16-12-7-10(2)21-18-12/h3-7H,8H2,1-2H3,(H,16,18,20)
InChIKeyDCQPDJQSNYDWAG-UHFFFAOYSA-N
XLogP3.54
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2543627
2-(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 855630
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1235819
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
2-{[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]thio}-N-(5-methylisoxazol-3-yl)acetamide
CID 3236521
2-[[5-(2-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2086177
N-(5-Methyl-isoxazol-3-yl)-2-(4-methyl-5-m-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 2507501
2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2564215
2-(5-Benzyl-4-butyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 3181032
2-(5-Benzyl-4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1154532
2-[[5-[1-(dimethylamino)ethyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
CID 2999135
2-(1-Benzyl-1H-tetrazol-5-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 648828

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide (CID 3240622) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is Cc1cccc(-c2nsc(SCC(=O)Nc3cc(C)on3)n2)c1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
The InChIKey is DCQPDJQSNYDWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S2/c1-9-4-3-5-11(6-9)14-17-15(23-19-14)22-8-13(20)16-12-7-10(2)21-18-12/h3-7H,8H2,1-2H3,(H,16,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide has a molecular weight of 346.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[3-(3-methylphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide is sourced from PubChem (CID 3240622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).