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

C16H14N2O2S — CID 71973734

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1ccoc1
InChIInChI=1S/C16H14N2O2S/c19-15(13-7-9-20-10-13)17-8-6-14-11-21-16(18-14)12-4-2-1-3-5-12/h1-5,7,9-11H,6,8H2,(H,17,19)
InChIKeyXHBLOVOFFXXWIW-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.38
Rot. Bonds5

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide (PubChem CID 71973734) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
PubChem CID71973734
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1ccoc1
InChIInChI=1S/C16H14N2O2S/c19-15(13-7-9-20-10-13)17-8-6-14-11-21-16(18-14)12-4-2-1-3-5-12/h1-5,7,9-11H,6,8H2,(H,17,19)
InChIKeyXHBLOVOFFXXWIW-UHFFFAOYSA-N
XLogP3.38
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide (CID 71973734) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)c1ccoc1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide?
The InChIKey is XHBLOVOFFXXWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(13-7-9-20-10-13)17-8-6-14-11-21-16(18-14)12-4-2-1-3-5-12/h1-5,7,9-11H,6,8H2,(H,17,19).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide has a molecular weight of 298.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 71973734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).