N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide

C14H9FN2OS2 — CID 107021686

IUPACN-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(S)ccc1F
InChIInChI=1S/C14H9FN2OS2/c15-10-6-5-8(19)7-9(10)13(18)17-14-16-11-3-1-2-4-12(11)20-14/h1-7,19H,(H,16,17,18)
InChIKeyZSKLXIUFJPECNA-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.98
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide

N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide (PubChem CID 107021686) has the molecular formula C14H9FN2OS2 and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
PubChem CID107021686
Molecular FormulaC14H9FN2OS2
Molecular Weight304.37 g/mol
Exact Mass304.01
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide
SMILESO=C(Nc1nc2ccccc2s1)c1cc(S)ccc1F
InChIInChI=1S/C14H9FN2OS2/c15-10-6-5-8(19)7-9(10)13(18)17-14-16-11-3-1-2-4-12(11)20-14/h1-7,19H,(H,16,17,18)
InChIKeyZSKLXIUFJPECNA-UHFFFAOYSA-N
XLogP3.98
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050
2-amino-N-(1,3-benzothiazol-2-yl)-5-chlorobenzamide
CID 29284368
N-(1,3-benzothiazol-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107021690
4-amino-N-(1,3-benzothiazol-2-yl)-3,5-difluorobenzamide
CID 63187259
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
3-amino-N-(1,3-benzothiazol-2-yl)-2,6-difluorobenzamide
CID 79758434
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide (CID 107021686) is N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide is O=C(Nc1nc2ccccc2s1)c1cc(S)ccc1F.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide?
The InChIKey is ZSKLXIUFJPECNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS2/c15-10-6-5-8(19)7-9(10)13(18)17-14-16-11-3-1-2-4-12(11)20-14/h1-7,19H,(H,16,17,18).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide?
N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide has a molecular weight of 304.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-fluoro-5-sulfanylbenzamide is sourced from PubChem (CID 107021686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).