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

C23H16N2OS — CID 1101889

IUPACN-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccccc1
InChIInChI=1S/C23H16N2OS/c26-22(15-6-2-1-3-7-15)25-23-24-21(14-27-23)17-10-11-20-18(13-17)12-16-8-4-5-9-19(16)20/h1-11,13-14H,12H2,(H,24,25,26)
InChIKeyJDTDDIGNQWTQCT-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.63
Rot. Bonds3

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

N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1101889) has the molecular formula C23H16N2OS and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide
PubChem CID1101889
Molecular FormulaC23H16N2OS
Molecular Weight368.46 g/mol
Exact Mass368.10
IUPAC NameN-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccccc1
InChIInChI=1S/C23H16N2OS/c26-22(15-6-2-1-3-7-15)25-23-24-21(14-27-23)17-10-11-20-18(13-17)12-16-8-4-5-9-19(16)20/h1-11,13-14H,12H2,(H,24,25,26)
InChIKeyJDTDDIGNQWTQCT-UHFFFAOYSA-N
XLogP5.63
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide (CID 1101889) is N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccccc1.
What is the InChIKey of N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JDTDDIGNQWTQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2OS/c26-22(15-6-2-1-3-7-15)25-23-24-21(14-27-23)17-10-11-20-18(13-17)12-16-8-4-5-9-19(16)20/h1-11,13-14H,12H2,(H,24,25,26).
What are the key properties of N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide?
N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 368.46 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-fluoren-2-yl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1101889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).