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

C17H11F3N4O3S — CID 7999201

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C17H11F3N4O3S/c18-17(19,20)12-5-6-24(23-12)9-13(25)21-16-22-14(10-3-1-7-26-10)15(28-16)11-4-2-8-27-11/h1-8H,9H2,(H,21,22,25)
InChIKeyVBEREKVPDQNXQV-UHFFFAOYSA-N
MW408.36 g/mol
LogP4.52
Rot. Bonds5

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

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 7999201) has the molecular formula C17H11F3N4O3S and a molecular weight of 408.36 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID7999201
Molecular FormulaC17H11F3N4O3S
Molecular Weight408.36 g/mol
Exact Mass408.05
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2ccco2)c(-c2ccco2)s1
InChIInChI=1S/C17H11F3N4O3S/c18-17(19,20)12-5-6-24(23-12)9-13(25)21-16-22-14(10-3-1-7-26-10)15(28-16)11-4-2-8-27-11/h1-8H,9H2,(H,21,22,25)
InChIKeyVBEREKVPDQNXQV-UHFFFAOYSA-N
XLogP4.52
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 7999201) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1nc(-c2ccco2)c(-c2ccco2)s1.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is VBEREKVPDQNXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O3S/c18-17(19,20)12-5-6-24(23-12)9-13(25)21-16-22-14(10-3-1-7-26-10)15(28-16)11-4-2-8-27-11/h1-8H,9H2,(H,21,22,25).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 408.36 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 7999201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).