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

C16H14N2O2S — CID 7119107

IUPACN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1ccco1
InChIInChI=1S/C16H14N2O2S/c19-15(14-7-4-10-20-14)17-9-8-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyCYKJJYTWSXPZGM-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.38
Rot. Bonds5

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

N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide (PubChem CID 7119107) 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-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
PubChem CID7119107
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC NameN-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2ccccc2)n1)c1ccco1
InChIInChI=1S/C16H14N2O2S/c19-15(14-7-4-10-20-14)17-9-8-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19)
InChIKeyCYKJJYTWSXPZGM-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-2-carboxamide?
The IUPAC name of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide (CID 7119107) is N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide is O=C(NCCc1csc(-c2ccccc2)n1)c1ccco1.
What is the InChIKey of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
The InChIKey is CYKJJYTWSXPZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c19-15(14-7-4-10-20-14)17-9-8-13-11-21-16(18-13)12-5-2-1-3-6-12/h1-7,10-11H,8-9H2,(H,17,19).
What are the key properties of N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide?
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-2-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-2-carboxamide is sourced from PubChem (CID 7119107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).