2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide

C13H13F3N2O2S — CID 70770698

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide
SMILESCc1cc(CNC(=O)Cc2csc(C)n2)c(C(F)(F)F)o1
InChIInChI=1S/C13H13F3N2O2S/c1-7-3-9(12(20-7)13(14,15)16)5-17-11(19)4-10-6-21-8(2)18-10/h3,6H,4-5H2,1-2H3,(H,17,19)
InChIKeyXRSUAEOCSABGMM-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide

2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide (PubChem CID 70770698) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide
PubChem CID70770698
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide
SMILESCc1cc(CNC(=O)Cc2csc(C)n2)c(C(F)(F)F)o1
InChIInChI=1S/C13H13F3N2O2S/c1-7-3-9(12(20-7)13(14,15)16)5-17-11(19)4-10-6-21-8(2)18-10/h3,6H,4-5H2,1-2H3,(H,17,19)
InChIKeyXRSUAEOCSABGMM-UHFFFAOYSA-N
XLogP3.23
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide (CID 70770698) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide is Cc1cc(CNC(=O)Cc2csc(C)n2)c(C(F)(F)F)o1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide?
The InChIKey is XRSUAEOCSABGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c1-7-3-9(12(20-7)13(14,15)16)5-17-11(19)4-10-6-21-8(2)18-10/h3,6H,4-5H2,1-2H3,(H,17,19).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide has a molecular weight of 318.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]acetamide is sourced from PubChem (CID 70770698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).