9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide

C21H19N3O2S — CID 24617419

IUPAC9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)s1
InChIInChI=1S/C21H19N3O2S/c1-2-3-4-9-18-23-24-21(27-18)22-20(26)13-10-11-15-14-7-5-6-8-16(14)19(25)17(15)12-13/h5-8,10-12H,2-4,9H2,1H3,(H,22,24,26)
InChIKeyRGCSDWPUNZMSSO-UHFFFAOYSA-N
MW377.47 g/mol
LogP4.73
Rot. Bonds6

About 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide

9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide (PubChem CID 24617419) has the molecular formula C21H19N3O2S and a molecular weight of 377.47 g/mol. Its IUPAC name is 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide.

Molecular Properties

Compound Name9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide
PubChem CID24617419
Molecular FormulaC21H19N3O2S
Molecular Weight377.47 g/mol
Exact Mass377.12
IUPAC Name9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide
SMILESCCCCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)s1
InChIInChI=1S/C21H19N3O2S/c1-2-3-4-9-18-23-24-21(27-18)22-20(26)13-10-11-15-14-7-5-6-8-16(14)19(25)17(15)12-13/h5-8,10-12H,2-4,9H2,1H3,(H,22,24,26)
InChIKeyRGCSDWPUNZMSSO-UHFFFAOYSA-N
XLogP4.73
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 119679154
3,4-dimethoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551224
butane;3-fluoro-N-(5-hexyl-1,3,4-thiadiazol-2-yl)benzamide
CID 169248406
4-(difluoromethylsulfonyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839573
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
3-(diethylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8839583
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methylsulfonylbenzamide
CID 26197121
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
3-(butylsulfamoyl)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
CID 17226832
4-(methanesulfonamido)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46550915
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339
3-(methylsulfinylmethyl)-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 46551033

Frequently Asked Questions

What is the IUPAC name of 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide?
The IUPAC name of 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide (CID 24617419) is 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide.
What is the SMILES notation for 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide?
The canonical SMILES for 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide is CCCCCc1nnc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)s1.
What is the InChIKey of 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide?
The InChIKey is RGCSDWPUNZMSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2S/c1-2-3-4-9-18-23-24-21(27-18)22-20(26)13-10-11-15-14-7-5-6-8-16(14)19(25)17(15)12-13/h5-8,10-12H,2-4,9H2,1H3,(H,22,24,26).
What are the key properties of 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide?
9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)fluorene-2-carboxamide is sourced from PubChem (CID 24617419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).