2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide

C12H10FN3O2S — CID 166871905

IUPAC2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1ncc(F)s1
InChIInChI=1S/C12H10FN3O2S/c1-7(17)15-9-5-3-2-4-8(9)11(18)16-12-14-6-10(13)19-12/h2-6H,1H3,(H,15,17)(H,14,16,18)
InChIKeyUSDJDZLSCBDAPK-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.49
Rot. Bonds3

About 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide

2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide (PubChem CID 166871905) has the molecular formula C12H10FN3O2S and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide
PubChem CID166871905
Molecular FormulaC12H10FN3O2S
Molecular Weight279.30 g/mol
Exact Mass279.05
IUPAC Name2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1ccccc1C(=O)Nc1ncc(F)s1
InChIInChI=1S/C12H10FN3O2S/c1-7(17)15-9-5-3-2-4-8(9)11(18)16-12-14-6-10(13)19-12/h2-6H,1H3,(H,15,17)(H,14,16,18)
InChIKeyUSDJDZLSCBDAPK-UHFFFAOYSA-N
XLogP2.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide (CID 166871905) is 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide is CC(=O)Nc1ccccc1C(=O)Nc1ncc(F)s1.
What is the InChIKey of 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide?
The InChIKey is USDJDZLSCBDAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S/c1-7(17)15-9-5-3-2-4-8(9)11(18)16-12-14-6-10(13)19-12/h2-6H,1H3,(H,15,17)(H,14,16,18).
What are the key properties of 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide?
2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide has a molecular weight of 279.30 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(5-fluoro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 166871905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).