cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone

C12H6CsFN2OS — CID 156743741

IUPACcesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone
SMILESO=[C-]Nc1nc2ccc3cc(F)ccc3c2s1.[Cs+]
InChIInChI=1S/C12H6FN2OS.Cs/c13-8-2-3-9-7(5-8)1-4-10-11(9)17-12(15-10)14-6-16;/h1-5H,(H,14,15,16);/q-1;+1
InChIKeyNYQRVHSVLUBGRG-UHFFFAOYSA-N
MW378.16 g/mol
LogP0.07
Rot. Bonds2

About cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone

cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone (PubChem CID 156743741) has the molecular formula C12H6CsFN2OS and a molecular weight of 378.16 g/mol. Its IUPAC name is cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone.

Molecular Properties

Compound Namecesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone
PubChem CID156743741
Molecular FormulaC12H6CsFN2OS
Molecular Weight378.16 g/mol
Exact Mass377.92
IUPAC Namecesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone
SMILESO=[C-]Nc1nc2ccc3cc(F)ccc3c2s1.[Cs+]
InChIInChI=1S/C12H6FN2OS.Cs/c13-8-2-3-9-7(5-8)1-4-10-11(9)17-12(15-10)14-6-16;/h1-5H,(H,14,15,16);/q-1;+1
InChIKeyNYQRVHSVLUBGRG-UHFFFAOYSA-N
XLogP0.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide
CID 167673076
cis-(1S,3R)-3-ethyl-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)cyclopentane-1-carboxamide
CID 167636236
pentakis(N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-1-methylpyrrolidine-3-carboxamide);N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 167619594
N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-3-(methanesulfonamido)cyclohexane-1-carboxamide
CID 164944836
(2R)-N-(7-fluorobenzo[g][1,3]benzothiazol-2-yl)-2-(5-oxo-2-sulfanylpyrrolidin-2-yl)propanamide;molecular hydrogen
CID 156743736
N-(2,2-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 103462904
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
CID 171976934
6-fluoro-N-(3-fluoro-5-methylphenyl)-1,3-benzothiazol-2-amine
CID 79143900
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
N-(2-bromo-5-fluorophenyl)-7-chloro-1,3-benzothiazol-2-amine
CID 107637503

Frequently Asked Questions

What is the IUPAC name of cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone?
The IUPAC name of cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone (CID 156743741) is cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone.
What is the SMILES notation for cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone?
The canonical SMILES for cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone is O=[C-]Nc1nc2ccc3cc(F)ccc3c2s1.[Cs+].
What is the InChIKey of cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone?
The InChIKey is NYQRVHSVLUBGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FN2OS.Cs/c13-8-2-3-9-7(5-8)1-4-10-11(9)17-12(15-10)14-6-16;/h1-5H,(H,14,15,16);/q-1;+1.
What are the key properties of cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone?
cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone has a molecular weight of 378.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium [(7-fluorobenzo[g][1,3]benzothiazol-2-yl)amino]methanone is sourced from PubChem (CID 156743741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).