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

C14H15F3N2O2S — CID 70745926

IUPAC3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
SMILESCc1cc(CNC(=O)CCc2scnc2C)c(C(F)(F)F)o1
InChIInChI=1S/C14H15F3N2O2S/c1-8-5-10(13(21-8)14(15,16)17)6-18-12(20)4-3-11-9(2)19-7-22-11/h5,7H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyGHIFYGAAAKIFGD-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.62
Rot. Bonds5

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

3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide (PubChem CID 70745926) has the molecular formula C14H15F3N2O2S and a molecular weight of 332.35 g/mol. Its IUPAC name is 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
PubChem CID70745926
Molecular FormulaC14H15F3N2O2S
Molecular Weight332.35 g/mol
Exact Mass332.08
IUPAC Name3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide
SMILESCc1cc(CNC(=O)CCc2scnc2C)c(C(F)(F)F)o1
InChIInChI=1S/C14H15F3N2O2S/c1-8-5-10(13(21-8)14(15,16)17)6-18-12(20)4-3-11-9(2)19-7-22-11/h5,7H,3-4,6H2,1-2H3,(H,18,20)
InChIKeyGHIFYGAAAKIFGD-UHFFFAOYSA-N
XLogP3.62
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The IUPAC name of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide (CID 70745926) is 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The canonical SMILES for 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide is Cc1cc(CNC(=O)CCc2scnc2C)c(C(F)(F)F)o1.
What is the InChIKey of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
The InChIKey is GHIFYGAAAKIFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2S/c1-8-5-10(13(21-8)14(15,16)17)6-18-12(20)4-3-11-9(2)19-7-22-11/h5,7H,3-4,6H2,1-2H3,(H,18,20).
What are the key properties of 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide?
3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide has a molecular weight of 332.35 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-thiazol-5-yl)-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]propanamide is sourced from PubChem (CID 70745926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).