N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide

C21H14N2OS — CID 23828377

IUPACN-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccc2c1-c1ccccc1C2
InChIInChI=1S/C21H14N2OS/c24-20(23-21-22-17-10-3-4-11-18(17)25-21)16-9-5-7-14-12-13-6-1-2-8-15(13)19(14)16/h1-11H,12H2,(H,22,23,24)
InChIKeyYCANBPNGNBSNQK-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.12
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide

N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide (PubChem CID 23828377) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide
PubChem CID23828377
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)c1cccc2c1-c1ccccc1C2
InChIInChI=1S/C21H14N2OS/c24-20(23-21-22-17-10-3-4-11-18(17)25-21)16-9-5-7-14-12-13-6-1-2-8-15(13)19(14)16/h1-11H,12H2,(H,22,23,24)
InChIKeyYCANBPNGNBSNQK-UHFFFAOYSA-N
XLogP5.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-1-tert-butyl-3,4-dihydroisoquinoline-8-carboxamide
CID 157095152
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
2-amino-N-(1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 848501
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353
N-(1,3-benzothiazol-2-yl)-2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzamide
CID 56800922
N-(1,3-benzothiazol-2-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzamide
CID 8882245
5-amino-N-(1,3-benzothiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 45482651

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide (CID 23828377) is N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide is O=C(Nc1nc2ccccc2s1)c1cccc2c1-c1ccccc1C2.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide?
The InChIKey is YCANBPNGNBSNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS/c24-20(23-21-22-17-10-3-4-11-18(17)25-21)16-9-5-7-14-12-13-6-1-2-8-15(13)19(14)16/h1-11H,12H2,(H,22,23,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-9H-fluorene-4-carboxamide is sourced from PubChem (CID 23828377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).