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

C18H15FN2OS — CID 127046861

IUPACN-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2F)cs1)c1ccccc1
InChIInChI=1S/C18H15FN2OS/c19-15-9-5-4-8-14(15)16-12-23-17(21-16)10-11-20-18(22)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyITINOBUUJGYWBV-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.92
Rot. Bonds5

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

N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (PubChem CID 127046861) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
PubChem CID127046861
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC NameN-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc(-c2ccccc2F)cs1)c1ccccc1
InChIInChI=1S/C18H15FN2OS/c19-15-9-5-4-8-14(15)16-12-23-17(21-16)10-11-20-18(22)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,22)
InChIKeyITINOBUUJGYWBV-UHFFFAOYSA-N
XLogP3.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide (CID 127046861) is N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is O=C(NCCc1nc(-c2ccccc2F)cs1)c1ccccc1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
The InChIKey is ITINOBUUJGYWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c19-15-9-5-4-8-14(15)16-12-23-17(21-16)10-11-20-18(22)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,22).
What are the key properties of N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide?
N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 127046861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).