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

C16H13FN2O2S — CID 7518526

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccco1
InChIInChI=1S/C16H13FN2O2S/c17-12-4-1-3-11(9-12)16-19-13(10-22-16)6-7-18-15(20)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H,18,20)
InChIKeyWNFUZTAHZCPVSK-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.51
Rot. Bonds5

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

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide (PubChem CID 7518526) has the molecular formula C16H13FN2O2S and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
PubChem CID7518526
Molecular FormulaC16H13FN2O2S
Molecular Weight316.36 g/mol
Exact Mass316.07
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide
SMILESO=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccco1
InChIInChI=1S/C16H13FN2O2S/c17-12-4-1-3-11(9-12)16-19-13(10-22-16)6-7-18-15(20)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H,18,20)
InChIKeyWNFUZTAHZCPVSK-UHFFFAOYSA-N
XLogP3.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide (CID 7518526) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide is O=C(NCCc1csc(-c2cccc(F)c2)n1)c1ccco1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
The InChIKey is WNFUZTAHZCPVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S/c17-12-4-1-3-11(9-12)16-19-13(10-22-16)6-7-18-15(20)14-5-2-8-21-14/h1-5,8-10H,6-7H2,(H,18,20).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 7518526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).