N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide

C10H9FN2OS — CID 821560

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
SMILESO=C(NC1=NCCS1)c1cccc(F)c1
InChIInChI=1S/C10H9FN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h1-3,6H,4-5H2,(H,12,13,14)
InChIKeyIWTLIPZYLQURCB-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.66
Rot. Bonds1

About N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide (PubChem CID 821560) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
PubChem CID821560
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide
SMILESO=C(NC1=NCCS1)c1cccc(F)c1
InChIInChI=1S/C10H9FN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h1-3,6H,4-5H2,(H,12,13,14)
InChIKeyIWTLIPZYLQURCB-UHFFFAOYSA-N
XLogP1.66
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide (CID 821560) is N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide is O=C(NC1=NCCS1)c1cccc(F)c1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide?
The InChIKey is IWTLIPZYLQURCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c11-8-3-1-2-7(6-8)9(14)13-10-12-4-5-15-10/h1-3,6H,4-5H2,(H,12,13,14).
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide has a molecular weight of 224.26 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 821560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).