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

CID 37560
CID 37560
CID 18109210
CID 18109210
CID 1430047
CID 1430047
CID 685913
CID 685913
CID 790687
CID 790687
CID 231116
CID 231116
CID 769187
CID 769187
CID 606347
CID 606347
CID 712274
CID 712274
CID 712463
CID 712463
CID 712465
CID 712465
CID 746903
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).