2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C12H12F3N3O2S2 — CID 78863555

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H12F3N3O2S2/c1-6-8(7(2)20-18-6)3-21-5-10(19)17-11-16-9(4-22-11)12(13,14)15/h4H,3,5H2,1-2H3,(H,16,17,19)
InChIKeyDXTRTTVGXNKEIN-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.64
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 78863555) has the molecular formula C12H12F3N3O2S2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID78863555
Molecular FormulaC12H12F3N3O2S2
Molecular Weight351.38 g/mol
Exact Mass351.03
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1noc(C)c1CSCC(=O)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H12F3N3O2S2/c1-6-8(7(2)20-18-6)3-21-5-10(19)17-11-16-9(4-22-11)12(13,14)15/h4H,3,5H2,1-2H3,(H,16,17,19)
InChIKeyDXTRTTVGXNKEIN-UHFFFAOYSA-N
XLogP3.64
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 78863555) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is Cc1noc(C)c1CSCC(=O)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is DXTRTTVGXNKEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S2/c1-6-8(7(2)20-18-6)3-21-5-10(19)17-11-16-9(4-22-11)12(13,14)15/h4H,3,5H2,1-2H3,(H,16,17,19).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 351.38 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78863555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).