methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

C14H13F3N2O4S — CID 2809559

IUPACmethyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NC(=O)c2cc(C)oc2C(F)(F)F)sc1C
InChIInChI=1S/C14H13F3N2O4S/c1-6-4-8(11(23-6)14(15,16)17)12(21)19-13-18-9(7(2)24-13)5-10(20)22-3/h4H,5H2,1-3H3,(H,18,19,21)
InChIKeyKAEMOLBDXLEKAU-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.34
Rot. Bonds4

About methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate

methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 2809559) has the molecular formula C14H13F3N2O4S and a molecular weight of 362.33 g/mol. Its IUPAC name is methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID2809559
Molecular FormulaC14H13F3N2O4S
Molecular Weight362.33 g/mol
Exact Mass362.05
IUPAC Namemethyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NC(=O)c2cc(C)oc2C(F)(F)F)sc1C
InChIInChI=1S/C14H13F3N2O4S/c1-6-4-8(11(23-6)14(15,16)17)12(21)19-13-18-9(7(2)24-13)5-10(20)22-3/h4H,5H2,1-3H3,(H,18,19,21)
InChIKeyKAEMOLBDXLEKAU-UHFFFAOYSA-N
XLogP3.34
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate (CID 2809559) is methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is COC(=O)Cc1nc(NC(=O)c2cc(C)oc2C(F)(F)F)sc1C.
What is the InChIKey of methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KAEMOLBDXLEKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O4S/c1-6-4-8(11(23-6)14(15,16)17)12(21)19-13-18-9(7(2)24-13)5-10(20)22-3/h4H,5H2,1-3H3,(H,18,19,21).
What are the key properties of methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate?
methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 362.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-2-[[5-methyl-2-(trifluoromethyl)furan-3-carbonyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2809559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).