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

C13H9F3N4O2S2 — CID 38783584

IUPAC2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C13H9F3N4O2S2/c1-6-7(17-10(22-6)8-3-2-4-23-8)5-9(21)18-12-20-19-11(24-12)13(14,15)16/h2-4H,5H2,1H3,(H,18,20,21)
InChIKeyPYMMXLRAXIKNMO-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.76
Rot. Bonds4

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

2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 38783584) has the molecular formula C13H9F3N4O2S2 and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID38783584
Molecular FormulaC13H9F3N4O2S2
Molecular Weight374.37 g/mol
Exact Mass374.01
IUPAC Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C13H9F3N4O2S2/c1-6-7(17-10(22-6)8-3-2-4-23-8)5-9(21)18-12-20-19-11(24-12)13(14,15)16/h2-4H,5H2,1H3,(H,18,20,21)
InChIKeyPYMMXLRAXIKNMO-UHFFFAOYSA-N
XLogP3.76
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
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
N-(4-chloro-2-fluorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31938329
N-[(1S)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 97066579
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-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 35340973
3,3,3-trifluoropropyl 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetate
CID 99628868

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 38783584) is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1oc(-c2cccs2)nc1CC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is PYMMXLRAXIKNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O2S2/c1-6-7(17-10(22-6)8-3-2-4-23-8)5-9(21)18-12-20-19-11(24-12)13(14,15)16/h2-4H,5H2,1H3,(H,18,20,21).
What are the key properties of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 374.37 g/mol, XLogP of 3.76, 4 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-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 38783584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).