N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide

C14H16F3N3O2S — CID 86820086

IUPACN-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CCNC(=O)c1cnc(-c2ccco2)s1)CC(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-2-20(9-14(15,16)17)6-5-18-12(21)11-8-19-13(23-11)10-4-3-7-22-10/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,21)
InChIKeyWBSMWLCBZLOSKY-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.02
Rot. Bonds7

About N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide

N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 86820086) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID86820086
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC NameN-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide
SMILESCCN(CCNC(=O)c1cnc(-c2ccco2)s1)CC(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-2-20(9-14(15,16)17)6-5-18-12(21)11-8-19-13(23-11)10-4-3-7-22-10/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,21)
InChIKeyWBSMWLCBZLOSKY-UHFFFAOYSA-N
XLogP3.02
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide (CID 86820086) is N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide is CCN(CCNC(=O)c1cnc(-c2ccco2)s1)CC(F)(F)F.
What is the InChIKey of N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is WBSMWLCBZLOSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-2-20(9-14(15,16)17)6-5-18-12(21)11-8-19-13(23-11)10-4-3-7-22-10/h3-4,7-8H,2,5-6,9H2,1H3,(H,18,21).
What are the key properties of N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide?
N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(2,2,2-trifluoroethyl)amino]ethyl]-2-(furan-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86820086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).