N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide

C14H9FN2OS — CID 712469

IUPACN-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2ncsc2c1
InChIInChI=1S/C14H9FN2OS/c15-10-2-1-3-11(7-10)17-14(18)9-4-5-12-13(6-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeyCJCANTYTSYHSEF-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds2

About N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide

N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 712469) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID712469
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC NameN-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2ncsc2c1
InChIInChI=1S/C14H9FN2OS/c15-10-2-1-3-11(7-10)17-14(18)9-4-5-12-13(6-9)19-8-16-12/h1-8H,(H,17,18)
InChIKeyCJCANTYTSYHSEF-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzamide, 4-amino-N-(benzothiazol-2-yl)-
CID 37560
N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
2-[1-(3-Fluorobenzoyl)piperidin-4-yl]-1,3-benzothiazole
CID 1430047
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 685913
4'-(6-Methyl-2-benzothiazolyl)acetanilide
CID 790687
2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid
CID 231116
(2-Amino-benzothiazol-6-yl)-piperidin-1-yl-methanone
CID 769187
2-Amino-1,3-benzothiazole-6-carboxamide
CID 606347
2-[(4-Aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
CID 712274
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712463
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712465
2-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 746903

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide (CID 712469) is N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1cccc(F)c1)c1ccc2ncsc2c1.
What is the InChIKey of N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is CJCANTYTSYHSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-10-2-1-3-11(7-10)17-14(18)9-4-5-12-13(6-9)19-8-16-12/h1-8H,(H,17,18).
What are the key properties of N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 712469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).