2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide

C13H13F3N2O2S — CID 71993343

IUPAC2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc(C(F)(F)F)cs2)c(C)o1
InChIInChI=1S/C13H13F3N2O2S/c1-7-5-9(8(2)20-7)12(19)17-4-3-11-18-10(6-21-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,19)
InChIKeySSKRGKCMQXUQLZ-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.34
Rot. Bonds4

About 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide (PubChem CID 71993343) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide
PubChem CID71993343
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCc2nc(C(F)(F)F)cs2)c(C)o1
InChIInChI=1S/C13H13F3N2O2S/c1-7-5-9(8(2)20-7)12(19)17-4-3-11-18-10(6-21-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,19)
InChIKeySSKRGKCMQXUQLZ-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide (CID 71993343) is 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCCc2nc(C(F)(F)F)cs2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide?
The InChIKey is SSKRGKCMQXUQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c1-7-5-9(8(2)20-7)12(19)17-4-3-11-18-10(6-21-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,19).
What are the key properties of 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide has a molecular weight of 318.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 71993343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).