N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide

C14H8ClIN2OS — CID 3606712

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(I)c1
InChIInChI=1S/C14H8ClIN2OS/c15-9-4-5-11-12(7-9)20-14(17-11)18-13(19)8-2-1-3-10(16)6-8/h1-7H,(H,17,18,19)
InChIKeyASZAAOOUVNTWBV-UHFFFAOYSA-N
MW414.66 g/mol
LogP4.81
Rot. Bonds2

About N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide

N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide (PubChem CID 3606712) has the molecular formula C14H8ClIN2OS and a molecular weight of 414.66 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
PubChem CID3606712
Molecular FormulaC14H8ClIN2OS
Molecular Weight414.66 g/mol
Exact Mass413.91
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(I)c1
InChIInChI=1S/C14H8ClIN2OS/c15-9-4-5-11-12(7-9)20-14(17-11)18-13(19)8-2-1-3-10(16)6-8/h1-7H,(H,17,18,19)
InChIKeyASZAAOOUVNTWBV-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.66
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156338
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 43436936
N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
N-(6-chloro-1,3-benzothiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 5136272
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 108739147
N-(6-chloro-1,3-benzothiazol-2-yl)-3-phenylmethoxybenzamide
CID 4505668
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(2-methylpropoxy)benzamide
CID 4505881
3-chloro-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 7202716
6-amino-N-(6-chloro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 62151620

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide (CID 3606712) is N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc(I)c1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide?
The InChIKey is ASZAAOOUVNTWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClIN2OS/c15-9-4-5-11-12(7-9)20-14(17-11)18-13(19)8-2-1-3-10(16)6-8/h1-7H,(H,17,18,19).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide has a molecular weight of 414.66 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-3-iodobenzamide is sourced from PubChem (CID 3606712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).