N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide

C12H12FN3O2S — CID 745463

IUPACN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NC1=NCCS1
InChIInChI=1S/C12H12FN3O2S/c13-9-4-2-1-3-8(9)11(18)15-7-10(17)16-12-14-5-6-19-12/h1-4H,5-7H2,(H,15,18)(H,14,16,17)
InChIKeyBMRGKGOLPGDEPF-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.77
Rot. Bonds3

About N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 745463) has the molecular formula C12H12FN3O2S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
PubChem CID745463
Molecular FormulaC12H12FN3O2S
Molecular Weight281.31 g/mol
Exact Mass281.06
IUPAC NameN-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NC1=NCCS1
InChIInChI=1S/C12H12FN3O2S/c13-9-4-2-1-3-8(9)11(18)15-7-10(17)16-12-14-5-6-19-12/h1-4H,5-7H2,(H,15,18)(H,14,16,17)
InChIKeyBMRGKGOLPGDEPF-UHFFFAOYSA-N
XLogP0.77
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide (CID 745463) is N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)NC1=NCCS1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is BMRGKGOLPGDEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2S/c13-9-4-2-1-3-8(9)11(18)15-7-10(17)16-12-14-5-6-19-12/h1-4H,5-7H2,(H,15,18)(H,14,16,17).
What are the key properties of N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 281.31 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 745463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).