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

C16H15N3O2S2 — CID 1235820

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2csc(SCC(=O)Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-10-3-5-12(6-4-10)13-8-22-16(17-13)23-9-15(20)18-14-7-11(2)21-19-14/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyNJSOBJMRNWCYRU-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.15
Rot. Bonds5

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

N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 1235820) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID1235820
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1ccc(-c2csc(SCC(=O)Nc3cc(C)on3)n2)cc1
InChIInChI=1S/C16H15N3O2S2/c1-10-3-5-12(6-4-10)13-8-22-16(17-13)23-9-15(20)18-14-7-11(2)21-19-14/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyNJSOBJMRNWCYRU-UHFFFAOYSA-N
XLogP4.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 71716325
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 71716928
N-(4,5-dimethyl-1,2-oxazol-3-yl)-4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 71716929
4-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-N-(4,5-dimethyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 71718165
2-(3,7-Dimethyl-quinolin-2-ylsulfanyl)-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 1176129
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2216801
4-Amino-2-(3-trifluoromethyl-phenylamino)-thiazole-5-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 655496
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 3147269
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 684682
N-(5-methyl-1,2-oxazol-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 1235819
2-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl}-N-(5-methyl-3-isoxazolyl)acetamide
CID 1235821
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 1235820) is N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is Cc1ccc(-c2csc(SCC(=O)Nc3cc(C)on3)n2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is NJSOBJMRNWCYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-10-3-5-12(6-4-10)13-8-22-16(17-13)23-9-15(20)18-14-7-11(2)21-19-14/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1235820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).