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

C18H13FN2O2S — CID 2372173

IUPACN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccccc2F)nc1-c1ccccc1
InChIInChI=1S/C18H13FN2O2S/c1-11(22)16-15(12-7-3-2-4-8-12)20-18(24-16)21-17(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,21,23)
InChIKeyZSKRDKSNLCZEKC-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.40
Rot. Bonds4

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

N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide (PubChem CID 2372173) has the molecular formula C18H13FN2O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide
PubChem CID2372173
Molecular FormulaC18H13FN2O2S
Molecular Weight340.38 g/mol
Exact Mass340.07
IUPAC NameN-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide
SMILESCC(=O)c1sc(NC(=O)c2ccccc2F)nc1-c1ccccc1
InChIInChI=1S/C18H13FN2O2S/c1-11(22)16-15(12-7-3-2-4-8-12)20-18(24-16)21-17(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,21,23)
InChIKeyZSKRDKSNLCZEKC-UHFFFAOYSA-N
XLogP4.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide (CID 2372173) is N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide is CC(=O)c1sc(NC(=O)c2ccccc2F)nc1-c1ccccc1.
What is the InChIKey of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
The InChIKey is ZSKRDKSNLCZEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S/c1-11(22)16-15(12-7-3-2-4-8-12)20-18(24-16)21-17(23)13-9-5-6-10-14(13)19/h2-10H,1H3,(H,20,21,23).
What are the key properties of N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide?
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide has a molecular weight of 340.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 2372173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).