N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

C24H18N2O2S — CID 24514926

IUPACN-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C24H18N2O2S/c27-24(16-5-8-21(9-6-16)28-13-20-14-29-15-25-20)26-19-7-10-23-18(12-19)11-17-3-1-2-4-22(17)23/h1-10,12,14-15H,11,13H2,(H,26,27)
InChIKeyJEYMOKDTXJPVFO-UHFFFAOYSA-N
MW398.49 g/mol
LogP5.55
Rot. Bonds5

About N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 24514926) has the molecular formula C24H18N2O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID24514926
Molecular FormulaC24H18N2O2S
Molecular Weight398.49 g/mol
Exact Mass398.11
IUPAC NameN-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(OCc2cscn2)cc1
InChIInChI=1S/C24H18N2O2S/c27-24(16-5-8-21(9-6-16)28-13-20-14-29-15-25-20)26-19-7-10-23-18(12-19)11-17-3-1-2-4-22(17)23/h1-10,12,14-15H,11,13H2,(H,26,27)
InChIKeyJEYMOKDTXJPVFO-UHFFFAOYSA-N
XLogP5.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide (CID 24514926) is N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(OCc2cscn2)cc1.
What is the InChIKey of N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is JEYMOKDTXJPVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2S/c27-24(16-5-8-21(9-6-16)28-13-20-14-29-15-25-20)26-19-7-10-23-18(12-19)11-17-3-1-2-4-22(17)23/h1-10,12,14-15H,11,13H2,(H,26,27).
What are the key properties of N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 398.49 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 24514926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).