2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C17H13FN2O2S — CID 746909

IUPAC2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C17H13FN2O2S/c1-22-12-8-6-11(7-9-12)15-10-23-17(19-15)20-16(21)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyDQIQHGKUFJRLAE-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.21
Rot. Bonds4

About 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 746909) has the molecular formula C17H13FN2O2S and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID746909
Molecular FormulaC17H13FN2O2S
Molecular Weight328.37 g/mol
Exact Mass328.07
IUPAC Name2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1
InChIInChI=1S/C17H13FN2O2S/c1-22-12-8-6-11(7-9-12)15-10-23-17(19-15)20-16(21)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21)
InChIKeyDQIQHGKUFJRLAE-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 746909) is 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1.
What is the InChIKey of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DQIQHGKUFJRLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2S/c1-22-12-8-6-11(7-9-12)15-10-23-17(19-15)20-16(21)13-4-2-3-5-14(13)18/h2-10H,1H3,(H,19,20,21).
What are the key properties of 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 328.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 746909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).