N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide

C14H9ClFN3OS — CID 91680533

IUPACN-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
SMILESNc1nc2c(Cl)cc(NC(=O)c3ccc(F)cc3)cc2s1
InChIInChI=1S/C14H9ClFN3OS/c15-10-5-9(6-11-12(10)19-14(17)21-11)18-13(20)7-1-3-8(16)4-2-7/h1-6H,(H2,17,19)(H,18,20)
InChIKeyUXLXZSHARYXHQD-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.92
Rot. Bonds2

About N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide

N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide (PubChem CID 91680533) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
PubChem CID91680533
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC NameN-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide
SMILESNc1nc2c(Cl)cc(NC(=O)c3ccc(F)cc3)cc2s1
InChIInChI=1S/C14H9ClFN3OS/c15-10-5-9(6-11-12(10)19-14(17)21-11)18-13(20)7-1-3-8(16)4-2-7/h1-6H,(H2,17,19)(H,18,20)
InChIKeyUXLXZSHARYXHQD-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60636089
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-3,4-dichlorobenzamide
CID 91680564
4-bromo-N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)benzamide
CID 91680524
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)butanamide
CID 91680334
N-(4-chloro-2-hydrazinyl-1,3-benzothiazol-6-yl)-4-methoxybenzamide
CID 91680598
N-(2-amino-4-methyl-1,3-benzothiazol-6-yl)-4-ethylbenzamide
CID 91680418
4-fluoro-N-(2-hydrazinyl-4-methyl-1,3-benzothiazol-6-yl)benzamide
CID 91680520
2-amino-N-(3,4-dichlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 60635776
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-2-chlorobenzamide
CID 91680546
N-(2-amino-4-bromo-1,3-benzothiazol-6-yl)-3,5-dichloro-4-methoxybenzamide
CID 91680662
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 91680458
N-(2-amino-1,3-benzothiazol-6-yl)benzamide
CID 823541

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide?
The IUPAC name of N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide (CID 91680533) is N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide?
The canonical SMILES for N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide is Nc1nc2c(Cl)cc(NC(=O)c3ccc(F)cc3)cc2s1.
What is the InChIKey of N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide?
The InChIKey is UXLXZSHARYXHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-10-5-9(6-11-12(10)19-14(17)21-11)18-13(20)7-1-3-8(16)4-2-7/h1-6H,(H2,17,19)(H,18,20).
What are the key properties of N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide?
N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide has a molecular weight of 321.76 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chloro-1,3-benzothiazol-6-yl)-4-fluorobenzamide is sourced from PubChem (CID 91680533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).