N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide

C17H13FN4O2S — CID 7243421

IUPACN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccco1
InChIInChI=1S/C17H13FN4O2S/c18-12-5-3-11(4-6-12)15-20-17-22(21-15)13(10-25-17)7-8-19-16(23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,23)
InChIKeyNUCBSOIZFJFTSQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.16
Rot. Bonds5

About N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide

N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide (PubChem CID 7243421) has the molecular formula C17H13FN4O2S and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide
PubChem CID7243421
Molecular FormulaC17H13FN4O2S
Molecular Weight356.38 g/mol
Exact Mass356.07
IUPAC NameN-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccco1
InChIInChI=1S/C17H13FN4O2S/c18-12-5-3-11(4-6-12)15-20-17-22(21-15)13(10-25-17)7-8-19-16(23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,23)
InChIKeyNUCBSOIZFJFTSQ-UHFFFAOYSA-N
XLogP3.16
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide (CID 7243421) is N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide is O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccco1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide?
The InChIKey is NUCBSOIZFJFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O2S/c18-12-5-3-11(4-6-12)15-20-17-22(21-15)13(10-25-17)7-8-19-16(23)14-2-1-9-24-14/h1-6,9-10H,7-8H2,(H,19,23).
What are the key properties of N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide?
N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7243421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).