2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide

C14H10FN3OS — CID 60636089

IUPAC2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3ccc(F)cc3)cc2s1
InChIInChI=1S/C14H10FN3OS/c15-9-2-4-10(5-3-9)17-13(19)8-1-6-11-12(7-8)20-14(16)18-11/h1-7H,(H2,16,18)(H,17,19)
InChIKeyIGJWWDFEQGQSAB-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.27
Rot. Bonds2

About 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide

2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 60636089) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID60636089
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC Name2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESNc1nc2ccc(C(=O)Nc3ccc(F)cc3)cc2s1
InChIInChI=1S/C14H10FN3OS/c15-9-2-4-10(5-3-9)17-13(19)8-1-6-11-12(7-8)20-14(16)18-11/h1-7H,(H2,16,18)(H,17,19)
InChIKeyIGJWWDFEQGQSAB-UHFFFAOYSA-N
XLogP3.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
2-amino-N-(4-sulfamoylphenyl)-1,3-benzothiazole-6-carboxamide
CID 110451808
2-amino-N-(4-nitrophenyl)-1,3-benzothiazole-6-carboxamide
CID 110451284
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-amino-N-[(Z)-(4-fluorophenyl)methylideneamino]-1,3-benzothiazole-6-carboxamide
CID 110522605
2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,3-benzothiazole-6-carboxamide
CID 110451687
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541
2-amino-N-(3,4-dimethoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 141297595
2-amino-N-carbamoyl-1,3-benzothiazole-6-carboxamide
CID 79195134
N-(2-amino-1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 19894896
2-amino-N-(6-fluoro-2-pyridinyl)-1,3-benzothiazole-6-carboxamide
CID 116813293
N-(2-amino-1,3-benzothiazol-6-yl)-4-tert-butylbenzamide
CID 50882062

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide (CID 60636089) is 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide is Nc1nc2ccc(C(=O)Nc3ccc(F)cc3)cc2s1.
What is the InChIKey of 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is IGJWWDFEQGQSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-9-2-4-10(5-3-9)17-13(19)8-1-6-11-12(7-8)20-14(16)18-11/h1-7H,(H2,16,18)(H,17,19).
What are the key properties of 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 60636089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).