N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide

C18H11FN2OS — CID 171976934

IUPACN-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1ccccc1F
InChIInChI=1S/C18H11FN2OS/c19-14-8-4-3-7-13(14)17(22)21-18-20-15-10-9-11-5-1-2-6-12(11)16(15)23-18/h1-10H,(H,20,21,22)
InChIKeyHYTFVBMZVGZPNI-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.84
Rot. Bonds2

About N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide

N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide (PubChem CID 171976934) has the molecular formula C18H11FN2OS and a molecular weight of 322.36 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
PubChem CID171976934
Molecular FormulaC18H11FN2OS
Molecular Weight322.36 g/mol
Exact Mass322.06
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1ccccc1F
InChIInChI=1S/C18H11FN2OS/c19-14-8-4-3-7-13(14)17(22)21-18-20-15-10-9-11-5-1-2-6-12(11)16(15)23-18/h1-10H,(H,20,21,22)
InChIKeyHYTFVBMZVGZPNI-UHFFFAOYSA-N
XLogP4.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)benzamide
CID 5159938
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 7193033
N-benzo[g][1,3]benzothiazol-2-ylbutanamide
CID 5054800
N-benzo[g][1,3]benzothiazol-2-yl-4-methylsulfonylbenzamide
CID 7565732
N-benzo[g][1,3]benzothiazol-2-yl-1,3-benzodioxole-5-carboxamide
CID 40959415
N-benzo[g][1,3]benzothiazol-2-yl-2-methylquinoline-7-carboxamide
CID 4083468
2-[2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 82058768
N-benzo[e][1,3]benzothiazol-2-yl-2,5-difluorobenzamide
CID 27185560
N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide
CID 46328841
N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-fluorobenzamide
CID 867640
N-(5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazol-2-yl)-2-fluorobenzamide
CID 82194073
N-(5-bromo-1,3-thiazol-2-yl)-2-fluorobenzamide
CID 60654750

Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide (CID 171976934) is N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide is O=C(Nc1nc2ccc3ccccc3c2s1)c1ccccc1F.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide?
The InChIKey is HYTFVBMZVGZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2OS/c19-14-8-4-3-7-13(14)17(22)21-18-20-15-10-9-11-5-1-2-6-12(11)16(15)23-18/h1-10H,(H,20,21,22).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide?
N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide has a molecular weight of 322.36 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-2-fluorobenzamide is sourced from PubChem (CID 171976934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).