7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide

C14H9BrFN3OS — CID 143922211

IUPAC7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2cnsc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3OS/c15-8-2-4-11(10(16)5-8)19-12-9(14(17)20)3-1-7-6-18-21-13(7)12/h1-6,19H,(H2,17,20)
InChIKeySSXQGGGZYORTFK-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.04
Rot. Bonds3

About 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide

7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide (PubChem CID 143922211) has the molecular formula C14H9BrFN3OS and a molecular weight of 366.22 g/mol. Its IUPAC name is 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide
PubChem CID143922211
Molecular FormulaC14H9BrFN3OS
Molecular Weight366.22 g/mol
Exact Mass364.96
IUPAC Name7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide
SMILESNC(=O)c1ccc2cnsc2c1Nc1ccc(Br)cc1F
InChIInChI=1S/C14H9BrFN3OS/c15-8-2-4-11(10(16)5-8)19-12-9(14(17)20)3-1-7-6-18-21-13(7)12/h1-6,19H,(H2,17,20)
InChIKeySSXQGGGZYORTFK-UHFFFAOYSA-N
XLogP4.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxylic acid
CID 67083711
7-(4-bromo-2-fluoroanilino)-N-propoxy-1,2-benzothiazole-6-carboxamide
CID 143922207
7-(2-fluoro-4-methylsulfanylanilino)-N-propoxy-1,2-benzothiazole-6-carboxamide
CID 143922188
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-7-(2-fluoro-4-methylanilino)-1,2-benzothiazole-6-carboxamide
CID 90959642
7-(4-bromo-2-fluoroanilino)-8-chloroimidazo[1,2-a]pyridine-6-carboxamide
CID 71189060
4-(4-bromo-2-fluoroanilino)-1,5-bis(methylsulfonyl)-6-oxopyridine-3-carboxamide
CID 69489340
4-fluoro-2-(2-fluoro-4-methylanilino)-3-methylbenzamide
CID 166873038
4-(4-bromo-2-fluoroanilino)-N-(2-hydroxyethoxy)-[1,2]thiazolo[5,4-c]pyridine-5-carboxamide
CID 88913019
9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
CID 71277772
3-(4-bromo-2-fluoroanilino)pyridazine-4-carbothioamide
CID 80510923
8-(4-bromo-2-fluoroanilino)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 68649878
2-N-(4-bromo-2-fluorophenyl)pyridine-2,5-diamine
CID 29066900

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide?
The IUPAC name of 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide (CID 143922211) is 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide.
What is the SMILES notation for 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide?
The canonical SMILES for 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide is NC(=O)c1ccc2cnsc2c1Nc1ccc(Br)cc1F.
What is the InChIKey of 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide?
The InChIKey is SSXQGGGZYORTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3OS/c15-8-2-4-11(10(16)5-8)19-12-9(14(17)20)3-1-7-6-18-21-13(7)12/h1-6,19H,(H2,17,20).
What are the key properties of 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide?
7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide has a molecular weight of 366.22 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2-fluoroanilino)-1,2-benzothiazole-6-carboxamide is sourced from PubChem (CID 143922211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).