N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide

C14H9FN2OS — CID 5124389

IUPACN-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1nc2ccccc2s1
InChIInChI=1S/C14H9FN2OS/c15-9-5-1-2-6-10(9)16-13(18)14-17-11-7-3-4-8-12(11)19-14/h1-8H,(H,16,18)
InChIKeyODPNTOROVRBRQN-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds2

About N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide

N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 5124389) has the molecular formula C14H9FN2OS and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
PubChem CID5124389
Molecular FormulaC14H9FN2OS
Molecular Weight272.30 g/mol
Exact Mass272.04
IUPAC NameN-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1nc2ccccc2s1
InChIInChI=1S/C14H9FN2OS/c15-9-5-1-2-6-10(9)16-13(18)14-17-11-7-3-4-8-12(11)19-14/h1-8H,(H,16,18)
InChIKeyODPNTOROVRBRQN-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

N-(2-methylphenyl)-1,3-benzothiazole-2-carboxamide
CID 2445261
N-(5-fluoro-2-hydroxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 118657800
N-phenyl-1,3-benzothiazole-2-carboxamide
CID 900706
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N-[3-(1,3-benzothiazole-2-carbonylamino)-4-pyridinyl]-1,3-benzothiazole-2-carboxamide
CID 3308592
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-fluorophenyl)propanamide
CID 2621017
1,3-benzothiazol-2-yl-(2-fluorophenyl)methanone
CID 83393932
N-(4-methoxyphenyl)-1,3-benzothiazole-2-carboxamide
CID 724615
1-[(E)-N'-(1,3-benzothiazol-2-yl)carbamimidoyl]-3-(2-fluorophenyl)urea
CID 171814746
2-(1,3-benzothiazole-2-carbonylamino)-4-(2-phenylethyl)benzoic acid
CID 67342631
N-(2,4-dimethoxypyrimidin-5-yl)-1,3-benzothiazole-2-carboxamide
CID 122304064
N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-benzothiazole-2-carboxamide
CID 71724918

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide (CID 5124389) is N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide is O=C(Nc1ccccc1F)c1nc2ccccc2s1.
What is the InChIKey of N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is ODPNTOROVRBRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2OS/c15-9-5-1-2-6-10(9)16-13(18)14-17-11-7-3-4-8-12(11)19-14/h1-8H,(H,16,18).
What are the key properties of N-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide?
N-(2-fluorophenyl)-1,3-benzothiazole-2-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-(2-fluorophenyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 5124389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).