2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide

C20H13FN2O2S — CID 142440275

IUPAC2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ncc(-c3ccco3)s2)c1)c1ccccc1F
InChIInChI=1S/C20H13FN2O2S/c21-16-8-2-1-7-15(16)19(24)23-14-6-3-5-13(11-14)20-22-12-18(26-20)17-9-4-10-25-17/h1-12H,(H,23,24)
InChIKeyCCMXISCQRHUIQO-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.46
Rot. Bonds4

About 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide

2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide (PubChem CID 142440275) has the molecular formula C20H13FN2O2S and a molecular weight of 364.40 g/mol. Its IUPAC name is 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide
PubChem CID142440275
Molecular FormulaC20H13FN2O2S
Molecular Weight364.40 g/mol
Exact Mass364.07
IUPAC Name2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ncc(-c3ccco3)s2)c1)c1ccccc1F
InChIInChI=1S/C20H13FN2O2S/c21-16-8-2-1-7-15(16)19(24)23-14-6-3-5-13(11-14)20-22-12-18(26-20)17-9-4-10-25-17/h1-12H,(H,23,24)
InChIKeyCCMXISCQRHUIQO-UHFFFAOYSA-N
XLogP5.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide (CID 142440275) is 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide is O=C(Nc1cccc(-c2ncc(-c3ccco3)s2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide?
The InChIKey is CCMXISCQRHUIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O2S/c21-16-8-2-1-7-15(16)19(24)23-14-6-3-5-13(11-14)20-22-12-18(26-20)17-9-4-10-25-17/h1-12H,(H,23,24).
What are the key properties of 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide has a molecular weight of 364.40 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[5-(furan-2-yl)-1,3-thiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 142440275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).