2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

C17H13N3O2S3 — CID 31765063

IUPAC2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C17H13N3O2S3/c1-10-11(18-16(22-10)14-5-3-7-24-14)8-15(21)20-17-19-12(9-25-17)13-4-2-6-23-13/h2-7,9H,8H2,1H3,(H,19,20,21)
InChIKeyLIOYNTZBMBZSIW-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.08
Rot. Bonds5

About 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide

2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 31765063) has the molecular formula C17H13N3O2S3 and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID31765063
Molecular FormulaC17H13N3O2S3
Molecular Weight387.51 g/mol
Exact Mass387.02
IUPAC Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C17H13N3O2S3/c1-10-11(18-16(22-10)14-5-3-7-24-14)8-15(21)20-17-19-12(9-25-17)13-4-2-6-23-13/h2-7,9H,8H2,1H3,(H,19,20,21)
InChIKeyLIOYNTZBMBZSIW-UHFFFAOYSA-N
XLogP5.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514689
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 46514539
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 38783584
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
methyl 4-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 134046092
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627491
N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
CID 24627985
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-(2,5-dibromophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 39166292

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide (CID 31765063) is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LIOYNTZBMBZSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S3/c1-10-11(18-16(22-10)14-5-3-7-24-14)8-15(21)20-17-19-12(9-25-17)13-4-2-6-23-13/h2-7,9H,8H2,1H3,(H,19,20,21).
What are the key properties of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide?
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 31765063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).